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

C32H34N4O3 — CID 118144237

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

N-[5-[4-[4-(furan-3-yl)phenyl]piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 118144237) has the molecular formula C32H34N4O3 and a molecular weight of 522.65 g/mol. Its IUPAC name is N-[5-[4-[4-(furan-3-yl)phenyl]piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[4-[4-(furan-3-yl)phenyl]piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
• PubChem CID: 118144237
• Molecular Formula: C32H34N4O3
• Molecular Weight: 522.65 g/mol
• Exact Mass: 522.26
• IUPAC Name: N-[5-[4-[4-(furan-3-yl)phenyl]piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
• SMILES: Cc1ccc(C(=O)N2CCC(c3ccc(-c4ccoc4)cc3)CC2)cc1NC(=O)c1ccc(NC(C)C)nc1
• InChI: InChI=1S/C32H34N4O3/c1-21(2)34-30-11-10-27(19-33-30)31(37)35-29-18-26(5-4-22(29)3)32(38)36-15-12-25(13-16-36)23-6-8-24(9-7-23)28-14-17-39-20-28/h4-11,14,17-21,25H,12-13,15-16H2,1-3H3,(H,33,34)(H,35,37)
• InChIKey: CAYYOGSLMRYQJW-UHFFFAOYSA-N
• XLogP: 6.74
• TPSA: 87.47 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	522.65
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[5-[4-[4-(furan-3-yl)phenyl]piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide (CID 118144237) is N-[5-[4-[4-(furan-3-yl)phenyl]piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide.

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

The canonical SMILES for N-[5-[4-[4-(furan-3-yl)phenyl]piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide is Cc1ccc(C(=O)N2CCC(c3ccc(-c4ccoc4)cc3)CC2)cc1NC(=O)c1ccc(NC(C)C)nc1.

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

The InChIKey is CAYYOGSLMRYQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O3/c1-21(2)34-30-11-10-27(19-33-30)31(37)35-29-18-26(5-4-22(29)3)32(38)36-15-12-25(13-16-36)23-6-8-24(9-7-23)28-14-17-39-20-28/h4-11,14,17-21,25H,12-13,15-16H2,1-3H3,(H,33,34)(H,35,37).

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

N-[5-[4-[4-(furan-3-yl)phenyl]piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 522.65 g/mol, XLogP of 6.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-[4-(furan-3-yl)phenyl]piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 118144237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).