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

C35H38N4O2 — CID 118146742

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

N-[2-methyl-5-[4-[4-(2-methylphenyl)phenyl]piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 118146742) has the molecular formula C35H38N4O2 and a molecular weight of 546.72 g/mol. Its IUPAC name is N-[2-methyl-5-[4-[4-(2-methylphenyl)phenyl]piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-methyl-5-[4-[4-(2-methylphenyl)phenyl]piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
• PubChem CID: 118146742
• Molecular Formula: C35H38N4O2
• Molecular Weight: 546.72 g/mol
• Exact Mass: 546.30
• IUPAC Name: N-[2-methyl-5-[4-[4-(2-methylphenyl)phenyl]piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
• SMILES: Cc1ccc(C(=O)N2CCC(c3ccc(-c4ccccc4C)cc3)CC2)cc1NC(=O)c1ccc(NC(C)C)nc1
• InChI: InChI=1S/C35H38N4O2/c1-23(2)37-33-16-15-30(22-36-33)34(40)38-32-21-29(10-9-25(32)4)35(41)39-19-17-27(18-20-39)26-11-13-28(14-12-26)31-8-6-5-7-24(31)3/h5-16,21-23,27H,17-20H2,1-4H3,(H,36,37)(H,38,40)
• InChIKey: FBAWAGMOPCYULL-UHFFFAOYSA-N
• XLogP: 7.46
• TPSA: 74.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.72
LogP ≤ 5	7.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[2-methyl-5-[4-[4-(2-methylphenyl)phenyl]piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide (CID 118146742) is N-[2-methyl-5-[4-[4-(2-methylphenyl)phenyl]piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide.

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

The canonical SMILES for N-[2-methyl-5-[4-[4-(2-methylphenyl)phenyl]piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide is Cc1ccc(C(=O)N2CCC(c3ccc(-c4ccccc4C)cc3)CC2)cc1NC(=O)c1ccc(NC(C)C)nc1.

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

The InChIKey is FBAWAGMOPCYULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N4O2/c1-23(2)37-33-16-15-30(22-36-33)34(40)38-32-21-29(10-9-25(32)4)35(41)39-19-17-27(18-20-39)26-11-13-28(14-12-26)31-8-6-5-7-24(31)3/h5-16,21-23,27H,17-20H2,1-4H3,(H,36,37)(H,38,40).

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

N-[2-methyl-5-[4-[4-(2-methylphenyl)phenyl]piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 546.72 g/mol, XLogP of 7.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methyl-5-[4-[4-(2-methylphenyl)phenyl]piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 118146742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).