3-(cyclopentylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[3-(4-hydroxybutyl)phenyl]-2-methanimidoylbenzamide;3-(cyclopentylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[3-(hydroxymethyl)phenyl]-2-methanimidoylbenzamide

C59H70N8O6 — CID 158277388

About 3-(cyclopentylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[3-(4-hydroxybutyl)phenyl]-2-methanimidoylbenzamide;3-(cyclopentylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[3-(hydroxymethyl)phenyl]-2-methanimidoylbenzamide

3-(cyclopentylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[3-(4-hydroxybutyl)phenyl]-2-methanimidoylbenzamide;3-(cyclopentylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[3-(hydroxymethyl)phenyl]-2-methanimidoylbenzamide (PubChem CID 158277388) has the molecular formula C59H70N8O6 and a molecular weight of 987.26 g/mol. Its IUPAC name is 3-(cyclopentylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[3-(4-hydroxybutyl)phenyl]-2-methanimidoylbenzamide;3-(cyclopentylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[3-(hydroxymethyl)phenyl]-2-methanimidoylbenzamide.

Molecular Properties

• Compound Name: 3-(cyclopentylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[3-(4-hydroxybutyl)phenyl]-2-methanimidoylbenzamide;3-(cyclopentylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[3-(hydroxymethyl)phenyl]-2-methanimidoylbenzamide
• PubChem CID: 158277388
• Molecular Formula: C59H70N8O6
• Molecular Weight: 987.26 g/mol
• Exact Mass: 986.54
• IUPAC Name: 3-(cyclopentylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[3-(4-hydroxybutyl)phenyl]-2-methanimidoylbenzamide;3-(cyclopentylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[3-(hydroxymethyl)phenyl]-2-methanimidoylbenzamide
• SMILES: [H]/N=C/c1c(NC2CCCC2)cc(-c2cccc(CCCCO)c2)cc1C(=O)NCc1c(C)cc(C)[nH]c1=O.[H]/N=C/c1c(NC2CCCC2)cc(-c2cccc(CO)c2)cc1C(=O)NCc1c(C)cc(C)[nH]c1=O
• InChI: InChI=1S/C31H38N4O3.C28H32N4O3/c1-20-14-21(2)34-31(38)28(20)19-33-30(37)26-16-24(23-10-7-9-22(15-23)8-5-6-13-36)17-29(27(26)18-32)35-25-11-3-4-12-25;1-17-10-18(2)31-28(35)25(17)15-30-27(34)23-12-21(20-7-5-6-19(11-20)16-33)13-26(24(23)14-29)32-22-8-3-4-9-22/h7,9-10,14-18,25,32,35-36H,3-6,8,11-13,19H2,1-2H3,(H,33,37)(H,34,38);5-7,10-14,22,29,32-33H,3-4,8-9,15-16H2,1-2H3,(H,30,34)(H,31,35)/b32-18+;29-14+
• InChIKey: GJTWGKKKEPKQJN-DKRSFVQBSA-N
• XLogP: 9.69
• TPSA: 236.14 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 10
• Rotatable Bonds: 19
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	987.26
LogP ≤ 5	9.69
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[3-(4-hydroxybutyl)phenyl]-2-methanimidoylbenzamide;3-(cyclopentylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[3-(hydroxymethyl)phenyl]-2-methanimidoylbenzamide?

The IUPAC name of 3-(cyclopentylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[3-(4-hydroxybutyl)phenyl]-2-methanimidoylbenzamide;3-(cyclopentylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[3-(hydroxymethyl)phenyl]-2-methanimidoylbenzamide (CID 158277388) is 3-(cyclopentylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[3-(4-hydroxybutyl)phenyl]-2-methanimidoylbenzamide;3-(cyclopentylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[3-(hydroxymethyl)phenyl]-2-methanimidoylbenzamide.

What is the SMILES notation for 3-(cyclopentylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[3-(4-hydroxybutyl)phenyl]-2-methanimidoylbenzamide;3-(cyclopentylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[3-(hydroxymethyl)phenyl]-2-methanimidoylbenzamide?

The canonical SMILES for 3-(cyclopentylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[3-(4-hydroxybutyl)phenyl]-2-methanimidoylbenzamide;3-(cyclopentylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[3-(hydroxymethyl)phenyl]-2-methanimidoylbenzamide is [H]/N=C/c1c(NC2CCCC2)cc(-c2cccc(CCCCO)c2)cc1C(=O)NCc1c(C)cc(C)[nH]c1=O.[H]/N=C/c1c(NC2CCCC2)cc(-c2cccc(CO)c2)cc1C(=O)NCc1c(C)cc(C)[nH]c1=O.

What is the InChIKey of 3-(cyclopentylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[3-(4-hydroxybutyl)phenyl]-2-methanimidoylbenzamide;3-(cyclopentylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[3-(hydroxymethyl)phenyl]-2-methanimidoylbenzamide?

The InChIKey is GJTWGKKKEPKQJN-DKRSFVQBSA-N. The full InChI is InChI=1S/C31H38N4O3.C28H32N4O3/c1-20-14-21(2)34-31(38)28(20)19-33-30(37)26-16-24(23-10-7-9-22(15-23)8-5-6-13-36)17-29(27(26)18-32)35-25-11-3-4-12-25;1-17-10-18(2)31-28(35)25(17)15-30-27(34)23-12-21(20-7-5-6-19(11-20)16-33)13-26(24(23)14-29)32-22-8-3-4-9-22/h7,9-10,14-18,25,32,35-36H,3-6,8,11-13,19H2,1-2H3,(H,33,37)(H,34,38);5-7,10-14,22,29,32-33H,3-4,8-9,15-16H2,1-2H3,(H,30,34)(H,31,35)/b32-18+;29-14+.

What are the key properties of 3-(cyclopentylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[3-(4-hydroxybutyl)phenyl]-2-methanimidoylbenzamide;3-(cyclopentylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[3-(hydroxymethyl)phenyl]-2-methanimidoylbenzamide?

3-(cyclopentylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[3-(4-hydroxybutyl)phenyl]-2-methanimidoylbenzamide;3-(cyclopentylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[3-(hydroxymethyl)phenyl]-2-methanimidoylbenzamide has a molecular weight of 987.26 g/mol, XLogP of 9.69, 19 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(cyclopentylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[3-(4-hydroxybutyl)phenyl]-2-methanimidoylbenzamide;3-(cyclopentylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[3-(hydroxymethyl)phenyl]-2-methanimidoylbenzamide is sourced from PubChem (CID 158277388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).