N-[3-[5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-4-methylphenyl]-3,5-dimethoxybenzamide

C31H32N4O4 — CID 144792650

About N-[3-[5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-4-methylphenyl]-3,5-dimethoxybenzamide

N-[3-[5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-4-methylphenyl]-3,5-dimethoxybenzamide (PubChem CID 144792650) has the molecular formula C31H32N4O4 and a molecular weight of 524.62 g/mol. Its IUPAC name is N-[3-[5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-4-methylphenyl]-3,5-dimethoxybenzamide.

Molecular Properties

• Compound Name: N-[3-[5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-4-methylphenyl]-3,5-dimethoxybenzamide
• PubChem CID: 144792650
• Molecular Formula: C31H32N4O4
• Molecular Weight: 524.62 g/mol
• Exact Mass: 524.24
• IUPAC Name: N-[3-[5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-4-methylphenyl]-3,5-dimethoxybenzamide
• SMILES: [H]/N=C(\C)c1ccc(-c2cc(NC(=O)c3cc(OC)cc(OC)c3)ccc2C)nc1NCc1ccc(OC)cc1
• InChI: InChI=1S/C31H32N4O4/c1-19-6-9-23(34-31(36)22-14-25(38-4)17-26(15-22)39-5)16-28(19)29-13-12-27(20(2)32)30(35-29)33-18-21-7-10-24(37-3)11-8-21/h6-17,32H,18H2,1-5H3,(H,33,35)(H,34,36)/b32-20+
• InChIKey: AHXPFKNSCOHQHK-UZWMFBFFSA-N
• XLogP: 6.33
• TPSA: 105.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.62
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-4-methylphenyl]-3,5-dimethoxybenzamide?

The IUPAC name of N-[3-[5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-4-methylphenyl]-3,5-dimethoxybenzamide (CID 144792650) is N-[3-[5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-4-methylphenyl]-3,5-dimethoxybenzamide.

What is the SMILES notation for N-[3-[5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-4-methylphenyl]-3,5-dimethoxybenzamide?

The canonical SMILES for N-[3-[5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-4-methylphenyl]-3,5-dimethoxybenzamide is [H]/N=C(\C)c1ccc(-c2cc(NC(=O)c3cc(OC)cc(OC)c3)ccc2C)nc1NCc1ccc(OC)cc1.

What is the InChIKey of N-[3-[5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-4-methylphenyl]-3,5-dimethoxybenzamide?

The InChIKey is AHXPFKNSCOHQHK-UZWMFBFFSA-N. The full InChI is InChI=1S/C31H32N4O4/c1-19-6-9-23(34-31(36)22-14-25(38-4)17-26(15-22)39-5)16-28(19)29-13-12-27(20(2)32)30(35-29)33-18-21-7-10-24(37-3)11-8-21/h6-17,32H,18H2,1-5H3,(H,33,35)(H,34,36)/b32-20+.

What are the key properties of N-[3-[5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-4-methylphenyl]-3,5-dimethoxybenzamide?

N-[3-[5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-4-methylphenyl]-3,5-dimethoxybenzamide has a molecular weight of 524.62 g/mol, XLogP of 6.33, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-4-methylphenyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 144792650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).