N-[5-[4-(4-aminophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-propan-2-yloxypyridine-3-carboxamide

C28H32N4O3 — CID 89272958

About N-[5-[4-(4-aminophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-propan-2-yloxypyridine-3-carboxamide

N-[5-[4-(4-aminophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-propan-2-yloxypyridine-3-carboxamide (PubChem CID 89272958) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-[5-[4-(4-aminophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-propan-2-yloxypyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[4-(4-aminophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-propan-2-yloxypyridine-3-carboxamide
• PubChem CID: 89272958
• Molecular Formula: C28H32N4O3
• Molecular Weight: 472.59 g/mol
• Exact Mass: 472.25
• IUPAC Name: N-[5-[4-(4-aminophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-propan-2-yloxypyridine-3-carboxamide
• SMILES: Cc1ccc(C(=O)N2CCC(c3ccc(N)cc3)CC2)cc1NC(=O)c1ccc(OC(C)C)nc1
• InChI: InChI=1S/C28H32N4O3/c1-18(2)35-26-11-8-23(17-30-26)27(33)31-25-16-22(5-4-19(25)3)28(34)32-14-12-21(13-15-32)20-6-9-24(29)10-7-20/h4-11,16-18,21H,12-15,29H2,1-3H3,(H,31,33)
• InChIKey: ZDCOGRLOFKWUIN-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 97.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.59
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[5-[4-(4-aminophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-propan-2-yloxypyridine-3-carboxamide (CID 89272958) is N-[5-[4-(4-aminophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-propan-2-yloxypyridine-3-carboxamide.

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

The canonical SMILES for N-[5-[4-(4-aminophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-propan-2-yloxypyridine-3-carboxamide is Cc1ccc(C(=O)N2CCC(c3ccc(N)cc3)CC2)cc1NC(=O)c1ccc(OC(C)C)nc1.

What is the InChIKey of N-[5-[4-(4-aminophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-propan-2-yloxypyridine-3-carboxamide?

The InChIKey is ZDCOGRLOFKWUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3/c1-18(2)35-26-11-8-23(17-30-26)27(33)31-25-16-22(5-4-19(25)3)28(34)32-14-12-21(13-15-32)20-6-9-24(29)10-7-20/h4-11,16-18,21H,12-15,29H2,1-3H3,(H,31,33).

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

N-[5-[4-(4-aminophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-propan-2-yloxypyridine-3-carboxamide has a molecular weight of 472.59 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-(4-aminophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-propan-2-yloxypyridine-3-carboxamide is sourced from PubChem (CID 89272958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).