3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyridine-4-carboxamide

C24H25N5OS — CID 55967853

About 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyridine-4-carboxamide

3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyridine-4-carboxamide (PubChem CID 55967853) has the molecular formula C24H25N5OS and a molecular weight of 431.57 g/mol. Its IUPAC name is 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyridine-4-carboxamide
• PubChem CID: 55967853
• Molecular Formula: C24H25N5OS
• Molecular Weight: 431.57 g/mol
• Exact Mass: 431.18
• IUPAC Name: 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyridine-4-carboxamide
• SMILES: CSc1nc(C2CC2)cc(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)c1C#N
• InChI: InChI=1S/C24H25N5OS/c1-15(2)22-26-9-10-29(22)14-16-5-4-6-18(11-16)27-23(30)19-12-21(17-7-8-17)28-24(31-3)20(19)13-25/h4-6,9-12,15,17H,7-8,14H2,1-3H3,(H,27,30)
• InChIKey: HONADFJIKQACAH-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 83.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.57
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyridine-4-carboxamide?

The IUPAC name of 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyridine-4-carboxamide (CID 55967853) is 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyridine-4-carboxamide.

What is the SMILES notation for 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyridine-4-carboxamide?

The canonical SMILES for 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyridine-4-carboxamide is CSc1nc(C2CC2)cc(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)c1C#N.

What is the InChIKey of 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyridine-4-carboxamide?

The InChIKey is HONADFJIKQACAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5OS/c1-15(2)22-26-9-10-29(22)14-16-5-4-6-18(11-16)27-23(30)19-12-21(17-7-8-17)28-24(31-3)20(19)13-25/h4-6,9-12,15,17H,7-8,14H2,1-3H3,(H,27,30).

What are the key properties of 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyridine-4-carboxamide?

3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyridine-4-carboxamide has a molecular weight of 431.57 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 55967853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).