2-(2-cyclopentylbutyliminomethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-5-propan-2-ylbenzamide

C29H41N3O2 — CID 123186330

About 2-(2-cyclopentylbutyliminomethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-5-propan-2-ylbenzamide

2-(2-cyclopentylbutyliminomethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-5-propan-2-ylbenzamide (PubChem CID 123186330) has the molecular formula C29H41N3O2 and a molecular weight of 463.67 g/mol. Its IUPAC name is 2-(2-cyclopentylbutyliminomethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-5-propan-2-ylbenzamide.

Molecular Properties

• Compound Name: 2-(2-cyclopentylbutyliminomethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-5-propan-2-ylbenzamide
• PubChem CID: 123186330
• Molecular Formula: C29H41N3O2
• Molecular Weight: 463.67 g/mol
• Exact Mass: 463.32
• IUPAC Name: 2-(2-cyclopentylbutyliminomethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-5-propan-2-ylbenzamide
• SMILES: CCC(C/N=C/c1c(C)cc(C(C)C)cc1C(=O)NCc1c(C)cc(C)[nH]c1=O)C1CCCC1
• InChI: InChI=1S/C29H41N3O2/c1-7-22(23-10-8-9-11-23)15-30-16-26-20(5)13-24(18(2)3)14-25(26)28(33)31-17-27-19(4)12-21(6)32-29(27)34/h12-14,16,18,22-23H,7-11,15,17H2,1-6H3,(H,31,33)(H,32,34)/b30-16+
• InChIKey: FZTUBHAMVNJZTK-OKCVXOCRSA-N
• XLogP: 5.99
• TPSA: 74.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.67
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylbutyliminomethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-5-propan-2-ylbenzamide?

The IUPAC name of 2-(2-cyclopentylbutyliminomethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-5-propan-2-ylbenzamide (CID 123186330) is 2-(2-cyclopentylbutyliminomethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-5-propan-2-ylbenzamide.

What is the SMILES notation for 2-(2-cyclopentylbutyliminomethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-5-propan-2-ylbenzamide?

The canonical SMILES for 2-(2-cyclopentylbutyliminomethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-5-propan-2-ylbenzamide is CCC(C/N=C/c1c(C)cc(C(C)C)cc1C(=O)NCc1c(C)cc(C)[nH]c1=O)C1CCCC1.

What is the InChIKey of 2-(2-cyclopentylbutyliminomethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-5-propan-2-ylbenzamide?

The InChIKey is FZTUBHAMVNJZTK-OKCVXOCRSA-N. The full InChI is InChI=1S/C29H41N3O2/c1-7-22(23-10-8-9-11-23)15-30-16-26-20(5)13-24(18(2)3)14-25(26)28(33)31-17-27-19(4)12-21(6)32-29(27)34/h12-14,16,18,22-23H,7-11,15,17H2,1-6H3,(H,31,33)(H,32,34)/b30-16+.

What are the key properties of 2-(2-cyclopentylbutyliminomethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-5-propan-2-ylbenzamide?

2-(2-cyclopentylbutyliminomethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-5-propan-2-ylbenzamide has a molecular weight of 463.67 g/mol, XLogP of 5.99, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-cyclopentylbutyliminomethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-5-propan-2-ylbenzamide is sourced from PubChem (CID 123186330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).