Submission Details

Molecule(s):
Cc1c(N)cncc1NC(=O)CC1CCCCC1

TRY-UNI-714a760b-1

Cc1c(N)cncc1NC(=O)CC1CCCCC1

3-aminopyridine-like Ordered View
Cc1c(N)cncc1NC(=O)Cc1ccccc1

TRY-UNI-714a760b-2

Cc1c(N)cncc1NC(=O)Cc1ccccc1

3-aminopyridine-like Ordered View
Cc1c(N)cncc1NC(=O)Cc1cccc(Cl)c1

TRY-UNI-714a760b-3

Cc1c(N)cncc1NC(=O)Cc1cccc(Cl)c1

3-aminopyridine-like Assayed View
Cc1ccncc1NC(=O)Nc1ccccc1

TRY-UNI-714a760b-4
Duplicate of:
ALE-HEI-f28a35b5-1

Cc1ccncc1NC(=O)Nc1ccccc1

Duplicate 3-aminopyridine-like Enamine MolPort Assayed View
Cc1ccncc1NC(=O)Cc1ccccc1

TRY-UNI-714a760b-5

Cc1ccncc1NC(=O)Cc1ccccc1

3-aminopyridine-like Mcule MolPort Assayed View
Cc1ccncc1NC(=O)Cc1cccc(Cl)c1

TRY-UNI-714a760b-6

Cc1ccncc1NC(=O)Cc1cccc(Cl)c1

3-aminopyridine-like Enamine Mcule MolPort Assayed View
Cc1c(N)cncc1NC(=O)NC1CCCCC1

TRY-UNI-714a760b-7

Cc1c(N)cncc1NC(=O)NC1CCCCC1

3-aminopyridine-like Ordered View
Cc1c(N)cncc1NC(=O)Nc1ccccc1

TRY-UNI-714a760b-8

Cc1c(N)cncc1NC(=O)Nc1ccccc1

3-aminopyridine-like Ordered View
Cc1c(N)cncc1NC(=O)Nc1cccc(Cl)c1

TRY-UNI-714a760b-9

Cc1c(N)cncc1NC(=O)Nc1cccc(Cl)c1

3-aminopyridine-like Ordered View
Cc1ccncc1NC(=O)CC1CCCCC1

TRY-UNI-714a760b-10
Duplicate of:
ALE-HEI-f28a35b5-6

Cc1ccncc1NC(=O)CC1CCCCC1

Duplicate 3-aminopyridine-like Enamine Mcule MolPort Ordered View
Cc1ccncc1NC(=O)NC1CCCCC1

TRY-UNI-714a760b-11
Duplicate of:
ALE-HEI-f28a35b5-7

Cc1ccncc1NC(=O)NC1CCCCC1

Duplicate 3-aminopyridine-like Enamine MolPort Ordered View
Cc1ccncc1NC(=O)Nc1cccc(Cl)c1

TRY-UNI-714a760b-12

Cc1ccncc1NC(=O)Nc1cccc(Cl)c1

3-aminopyridine-like MolPort Assayed View
Cc1c(N)cncc1NC(=O)C(C)C1CCCCC1

TRY-UNI-714a760b-13

Cc1c(N)cncc1NC(=O)C(C)C1CCCCC1

3-aminopyridine-like Ordered View
Cc1c(N)cncc1NC(=O)C(C)c1ccccc1

TRY-UNI-714a760b-14

Cc1c(N)cncc1NC(=O)C(C)c1ccccc1

3-aminopyridine-like Ordered View
Cc1c(N)cncc1NC(=O)C(C)c1cccc(Cl)c1

TRY-UNI-714a760b-15

Cc1c(N)cncc1NC(=O)C(C)c1cccc(Cl)c1

3-aminopyridine-like Ordered View
Cc1ccncc1NC(=O)C(C)C1CCCCC1

TRY-UNI-714a760b-16

Cc1ccncc1NC(=O)C(C)C1CCCCC1

3-aminopyridine-like Assayed View
Cc1ccncc1NC(=O)C(C)c1ccccc1

TRY-UNI-714a760b-17

Cc1ccncc1NC(=O)C(C)c1ccccc1

3-aminopyridine-like Enamine Mcule MolPort Ordered View
Cc1ccncc1NC(=O)C(C)c1cccc(Cl)c1

TRY-UNI-714a760b-18

Cc1ccncc1NC(=O)C(C)c1cccc(Cl)c1

3-aminopyridine-like Enamine MolPort Assayed View
Cc1c(N)cncc1NC(=O)Cc1cccc(C#N)c1

TRY-UNI-714a760b-19

Cc1c(N)cncc1NC(=O)Cc1cccc(C#N)c1

3-aminopyridine-like Assayed View
Cc1ccncc1NC(=O)Cc1cccc(C#N)c1

TRY-UNI-714a760b-20

Cc1ccncc1NC(=O)Cc1cccc(C#N)c1

3-aminopyridine-like Enamine MolPort Assayed View
Cc1c(N)cncc1NC(=O)C(C)c1cccc(C#N)c1

TRY-UNI-714a760b-21

Cc1c(N)cncc1NC(=O)C(C)c1cccc(C#N)c1

3-aminopyridine-like Ordered View
Cc1ccncc1NC(=O)C(C)c1cccc(C#N)c1

TRY-UNI-714a760b-22

Cc1ccncc1NC(=O)C(C)c1cccc(C#N)c1

3-aminopyridine-like Enamine MolPort Assayed View
Cc1c(N)cncc1NC(=O)Nc1cccc(C#N)c1

TRY-UNI-714a760b-23

Cc1c(N)cncc1NC(=O)Nc1cccc(C#N)c1

3-aminopyridine-like Ordered View
Cc1ccncc1NC(=O)Nc1cccc(C#N)c1

TRY-UNI-714a760b-24

Cc1ccncc1NC(=O)Nc1cccc(C#N)c1

3-aminopyridine-like MolPort Assayed View

Design Rationale:

The design of the molecules was done by superimposing the different fragments from the crystal structures (by eye). The reactions should be fairly easy urea formation or amide coupling all from readily available starting materials. Fragments used for the conception of the ideas are the following x0107, x0434, x0678, x0748, x0995, x1382

Inspired By:
Discussion: