6-cyclopropyl-5-methyl-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide

C21H23N5OS — CID 139360495

About 6-cyclopropyl-5-methyl-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide

6-cyclopropyl-5-methyl-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide (PubChem CID 139360495) has the molecular formula C21H23N5OS and a molecular weight of 393.52 g/mol. Its IUPAC name is 6-cyclopropyl-5-methyl-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-cyclopropyl-5-methyl-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide
• PubChem CID: 139360495
• Molecular Formula: C21H23N5OS
• Molecular Weight: 393.52 g/mol
• Exact Mass: 393.16
• IUPAC Name: 6-cyclopropyl-5-methyl-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide
• SMILES: Cc1ccc(C(=O)Nc2cccc([C@H](C)Sc3nncn3C)c2)nc1C1CC1
• InChI: InChI=1S/C21H23N5OS/c1-13-7-10-18(24-19(13)15-8-9-15)20(27)23-17-6-4-5-16(11-17)14(2)28-21-25-22-12-26(21)3/h4-7,10-12,14-15H,8-9H2,1-3H3,(H,23,27)/t14-/m0/s1
• InChIKey: HUSHHMHALDKPKN-AWEZNQCLSA-N
• XLogP: 4.50
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.52
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-methyl-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide?

The IUPAC name of 6-cyclopropyl-5-methyl-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide (CID 139360495) is 6-cyclopropyl-5-methyl-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide.

What is the SMILES notation for 6-cyclopropyl-5-methyl-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide?

The canonical SMILES for 6-cyclopropyl-5-methyl-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide is Cc1ccc(C(=O)Nc2cccc([C@H](C)Sc3nncn3C)c2)nc1C1CC1.

What is the InChIKey of 6-cyclopropyl-5-methyl-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide?

The InChIKey is HUSHHMHALDKPKN-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H23N5OS/c1-13-7-10-18(24-19(13)15-8-9-15)20(27)23-17-6-4-5-16(11-17)14(2)28-21-25-22-12-26(21)3/h4-7,10-12,14-15H,8-9H2,1-3H3,(H,23,27)/t14-/m0/s1.

What are the key properties of 6-cyclopropyl-5-methyl-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide?

6-cyclopropyl-5-methyl-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide has a molecular weight of 393.52 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-5-methyl-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 139360495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).