N-[2-methyl-5-[4-(4-thiophen-2-ylphenyl)piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide

C32H34N4O2S — CID 118645983

About N-[2-methyl-5-[4-(4-thiophen-2-ylphenyl)piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide

N-[2-methyl-5-[4-(4-thiophen-2-ylphenyl)piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 118645983) has the molecular formula C32H34N4O2S and a molecular weight of 538.72 g/mol. Its IUPAC name is N-[2-methyl-5-[4-(4-thiophen-2-ylphenyl)piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-methyl-5-[4-(4-thiophen-2-ylphenyl)piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
• PubChem CID: 118645983
• Molecular Formula: C32H34N4O2S
• Molecular Weight: 538.72 g/mol
• Exact Mass: 538.24
• IUPAC Name: N-[2-methyl-5-[4-(4-thiophen-2-ylphenyl)piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
• SMILES: Cc1ccc(C(=O)N2CCC(c3ccc(-c4cccs4)cc3)CC2)cc1NC(=O)c1ccc(NC(C)C)nc1
• InChI: InChI=1S/C32H34N4O2S/c1-21(2)34-30-13-12-27(20-33-30)31(37)35-28-19-26(7-6-22(28)3)32(38)36-16-14-24(15-17-36)23-8-10-25(11-9-23)29-5-4-18-39-29/h4-13,18-21,24H,14-17H2,1-3H3,(H,33,34)(H,35,37)
• InChIKey: GEOMYMAOLVREDP-UHFFFAOYSA-N
• XLogP: 7.21
• TPSA: 74.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.72
LogP ≤ 5	7.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[4-(4-thiophen-2-ylphenyl)piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide?

The IUPAC name of N-[2-methyl-5-[4-(4-thiophen-2-ylphenyl)piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide (CID 118645983) is N-[2-methyl-5-[4-(4-thiophen-2-ylphenyl)piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide.

What is the SMILES notation for N-[2-methyl-5-[4-(4-thiophen-2-ylphenyl)piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide?

The canonical SMILES for N-[2-methyl-5-[4-(4-thiophen-2-ylphenyl)piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide is Cc1ccc(C(=O)N2CCC(c3ccc(-c4cccs4)cc3)CC2)cc1NC(=O)c1ccc(NC(C)C)nc1.

What is the InChIKey of N-[2-methyl-5-[4-(4-thiophen-2-ylphenyl)piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide?

The InChIKey is GEOMYMAOLVREDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O2S/c1-21(2)34-30-13-12-27(20-33-30)31(37)35-28-19-26(7-6-22(28)3)32(38)36-16-14-24(15-17-36)23-8-10-25(11-9-23)29-5-4-18-39-29/h4-13,18-21,24H,14-17H2,1-3H3,(H,33,34)(H,35,37).

What are the key properties of N-[2-methyl-5-[4-(4-thiophen-2-ylphenyl)piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide?

N-[2-methyl-5-[4-(4-thiophen-2-ylphenyl)piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 538.72 g/mol, XLogP of 7.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methyl-5-[4-(4-thiophen-2-ylphenyl)piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 118645983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).