N-[(4-cyano-3-naphthalen-1-ylphenyl)methyl]-6-methyl-5-propan-2-yl-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide

C32H28N4OS — CID 142094021

About N-[(4-cyano-3-naphthalen-1-ylphenyl)methyl]-6-methyl-5-propan-2-yl-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide

N-[(4-cyano-3-naphthalen-1-ylphenyl)methyl]-6-methyl-5-propan-2-yl-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide (PubChem CID 142094021) has the molecular formula C32H28N4OS and a molecular weight of 516.67 g/mol. Its IUPAC name is N-[(4-cyano-3-naphthalen-1-ylphenyl)methyl]-6-methyl-5-propan-2-yl-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(4-cyano-3-naphthalen-1-ylphenyl)methyl]-6-methyl-5-propan-2-yl-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide
• PubChem CID: 142094021
• Molecular Formula: C32H28N4OS
• Molecular Weight: 516.67 g/mol
• Exact Mass: 516.20
• IUPAC Name: N-[(4-cyano-3-naphthalen-1-ylphenyl)methyl]-6-methyl-5-propan-2-yl-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide
• SMILES: Cc1ncc(C(=O)N(Cc2ccc(C#N)c(-c3cccc4ccccc34)c2)Cc2cncs2)cc1C(C)C
• InChI: InChI=1S/C32H28N4OS/c1-21(2)30-14-26(16-35-22(30)3)32(37)36(19-27-17-34-20-38-27)18-23-11-12-25(15-33)31(13-23)29-10-6-8-24-7-4-5-9-28(24)29/h4-14,16-17,20-21H,18-19H2,1-3H3
• InChIKey: DOTMGVWRSJKDOK-UHFFFAOYSA-N
• XLogP: 7.50
• TPSA: 69.88 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.67
LogP ≤ 5	7.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyano-3-naphthalen-1-ylphenyl)methyl]-6-methyl-5-propan-2-yl-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide?

The IUPAC name of N-[(4-cyano-3-naphthalen-1-ylphenyl)methyl]-6-methyl-5-propan-2-yl-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide (CID 142094021) is N-[(4-cyano-3-naphthalen-1-ylphenyl)methyl]-6-methyl-5-propan-2-yl-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide.

What is the SMILES notation for N-[(4-cyano-3-naphthalen-1-ylphenyl)methyl]-6-methyl-5-propan-2-yl-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide?

The canonical SMILES for N-[(4-cyano-3-naphthalen-1-ylphenyl)methyl]-6-methyl-5-propan-2-yl-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide is Cc1ncc(C(=O)N(Cc2ccc(C#N)c(-c3cccc4ccccc34)c2)Cc2cncs2)cc1C(C)C.

What is the InChIKey of N-[(4-cyano-3-naphthalen-1-ylphenyl)methyl]-6-methyl-5-propan-2-yl-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide?

The InChIKey is DOTMGVWRSJKDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N4OS/c1-21(2)30-14-26(16-35-22(30)3)32(37)36(19-27-17-34-20-38-27)18-23-11-12-25(15-33)31(13-23)29-10-6-8-24-7-4-5-9-28(24)29/h4-14,16-17,20-21H,18-19H2,1-3H3.

What are the key properties of N-[(4-cyano-3-naphthalen-1-ylphenyl)methyl]-6-methyl-5-propan-2-yl-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide?

N-[(4-cyano-3-naphthalen-1-ylphenyl)methyl]-6-methyl-5-propan-2-yl-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide has a molecular weight of 516.67 g/mol, XLogP of 7.50, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-cyano-3-naphthalen-1-ylphenyl)methyl]-6-methyl-5-propan-2-yl-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 142094021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).