1-[(2R)-2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

C21H23N5OS — CID 95835363

About 1-[(2R)-2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

1-[(2R)-2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 95835363) has the molecular formula C21H23N5OS and a molecular weight of 393.52 g/mol. Its IUPAC name is 1-[(2R)-2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

• Compound Name: 1-[(2R)-2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
• PubChem CID: 95835363
• Molecular Formula: C21H23N5OS
• Molecular Weight: 393.52 g/mol
• Exact Mass: 393.16
• IUPAC Name: 1-[(2R)-2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
• SMILES: Cc1cccc(Nc2cccc([C@H]3CCCN3C(=O)Cc3csc(C)n3)n2)n1
• InChI: InChI=1S/C21H23N5OS/c1-14-6-3-9-19(22-14)25-20-10-4-7-17(24-20)18-8-5-11-26(18)21(27)12-16-13-28-15(2)23-16/h3-4,6-7,9-10,13,18H,5,8,11-12H2,1-2H3,(H,22,24,25)/t18-/m1/s1
• InChIKey: ZZWUUOWVHISQJB-GOSISDBHSA-N
• XLogP: 4.20
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.52
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?

The IUPAC name of 1-[(2R)-2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 95835363) is 1-[(2R)-2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone.

What is the SMILES notation for 1-[(2R)-2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?

The canonical SMILES for 1-[(2R)-2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone is Cc1cccc(Nc2cccc([C@H]3CCCN3C(=O)Cc3csc(C)n3)n2)n1.

What is the InChIKey of 1-[(2R)-2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?

The InChIKey is ZZWUUOWVHISQJB-GOSISDBHSA-N. The full InChI is InChI=1S/C21H23N5OS/c1-14-6-3-9-19(22-14)25-20-10-4-7-17(24-20)18-8-5-11-26(18)21(27)12-16-13-28-15(2)23-16/h3-4,6-7,9-10,13,18H,5,8,11-12H2,1-2H3,(H,22,24,25)/t18-/m1/s1.

What are the key properties of 1-[(2R)-2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?

1-[(2R)-2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 393.52 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 95835363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).