(4R)-5-cyano-2-methyl-N,4-diphenyl-6-(pyridin-4-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxamide

C26H22N4OS — CID 1005366

About (4R)-5-cyano-2-methyl-N,4-diphenyl-6-(pyridin-4-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxamide

(4R)-5-cyano-2-methyl-N,4-diphenyl-6-(pyridin-4-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxamide (PubChem CID 1005366) has the molecular formula C26H22N4OS and a molecular weight of 438.56 g/mol. Its IUPAC name is (4R)-5-cyano-2-methyl-N,4-diphenyl-6-(pyridin-4-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxamide.

Molecular Properties

• Compound Name: (4R)-5-cyano-2-methyl-N,4-diphenyl-6-(pyridin-4-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxamide
• PubChem CID: 1005366
• Molecular Formula: C26H22N4OS
• Molecular Weight: 438.56 g/mol
• Exact Mass: 438.15
• IUPAC Name: (4R)-5-cyano-2-methyl-N,4-diphenyl-6-(pyridin-4-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxamide
• SMILES: CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)C(C#N)=C(SCc2ccncc2)N1
• InChI: InChI=1S/C26H22N4OS/c1-18-23(25(31)30-21-10-6-3-7-11-21)24(20-8-4-2-5-9-20)22(16-27)26(29-18)32-17-19-12-14-28-15-13-19/h2-15,24,29H,17H2,1H3,(H,30,31)/t24-/m0/s1
• InChIKey: KIFWNTQLRVLOHA-DEOSSOPVSA-N
• XLogP: 5.35
• TPSA: 77.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.56
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4R)-5-cyano-2-methyl-N,4-diphenyl-6-(pyridin-4-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxamide?

The IUPAC name of (4R)-5-cyano-2-methyl-N,4-diphenyl-6-(pyridin-4-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxamide (CID 1005366) is (4R)-5-cyano-2-methyl-N,4-diphenyl-6-(pyridin-4-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxamide.

What is the SMILES notation for (4R)-5-cyano-2-methyl-N,4-diphenyl-6-(pyridin-4-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxamide?

The canonical SMILES for (4R)-5-cyano-2-methyl-N,4-diphenyl-6-(pyridin-4-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxamide is CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)C(C#N)=C(SCc2ccncc2)N1.

What is the InChIKey of (4R)-5-cyano-2-methyl-N,4-diphenyl-6-(pyridin-4-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxamide?

The InChIKey is KIFWNTQLRVLOHA-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H22N4OS/c1-18-23(25(31)30-21-10-6-3-7-11-21)24(20-8-4-2-5-9-20)22(16-27)26(29-18)32-17-19-12-14-28-15-13-19/h2-15,24,29H,17H2,1H3,(H,30,31)/t24-/m0/s1.

What are the key properties of (4R)-5-cyano-2-methyl-N,4-diphenyl-6-(pyridin-4-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxamide?

(4R)-5-cyano-2-methyl-N,4-diphenyl-6-(pyridin-4-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxamide has a molecular weight of 438.56 g/mol, XLogP of 5.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-5-cyano-2-methyl-N,4-diphenyl-6-(pyridin-4-ylmethylsulfanyl)-1,4-dihydropyridine-3-carboxamide is sourced from PubChem (CID 1005366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).