N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-methoxyphenyl)-3-methyl-5-phenyl-1H-pyrrole-2-carboxamide

C31H32N4O3 — CID 135264106

About N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-methoxyphenyl)-3-methyl-5-phenyl-1H-pyrrole-2-carboxamide

N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-methoxyphenyl)-3-methyl-5-phenyl-1H-pyrrole-2-carboxamide (PubChem CID 135264106) has the molecular formula C31H32N4O3 and a molecular weight of 508.62 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-methoxyphenyl)-3-methyl-5-phenyl-1H-pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-methoxyphenyl)-3-methyl-5-phenyl-1H-pyrrole-2-carboxamide
• PubChem CID: 135264106
• Molecular Formula: C31H32N4O3
• Molecular Weight: 508.62 g/mol
• Exact Mass: 508.25
• IUPAC Name: N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-methoxyphenyl)-3-methyl-5-phenyl-1H-pyrrole-2-carboxamide
• SMILES: COc1ccc(N(C(=O)c2[nH]c(-c3ccccc3)cc2C)C(C(=O)NC2CCCC2)c2ccncc2)cc1
• InChI: InChI=1S/C31H32N4O3/c1-21-20-27(22-8-4-3-5-9-22)34-28(21)31(37)35(25-12-14-26(38-2)15-13-25)29(23-16-18-32-19-17-23)30(36)33-24-10-6-7-11-24/h3-5,8-9,12-20,24,29,34H,6-7,10-11H2,1-2H3,(H,33,36)
• InChIKey: WEIQUAZBKQQEFV-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 87.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.62
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-methoxyphenyl)-3-methyl-5-phenyl-1H-pyrrole-2-carboxamide?

The IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-methoxyphenyl)-3-methyl-5-phenyl-1H-pyrrole-2-carboxamide (CID 135264106) is N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-methoxyphenyl)-3-methyl-5-phenyl-1H-pyrrole-2-carboxamide.

What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-methoxyphenyl)-3-methyl-5-phenyl-1H-pyrrole-2-carboxamide?

The canonical SMILES for N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-methoxyphenyl)-3-methyl-5-phenyl-1H-pyrrole-2-carboxamide is COc1ccc(N(C(=O)c2[nH]c(-c3ccccc3)cc2C)C(C(=O)NC2CCCC2)c2ccncc2)cc1.

What is the InChIKey of N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-methoxyphenyl)-3-methyl-5-phenyl-1H-pyrrole-2-carboxamide?

The InChIKey is WEIQUAZBKQQEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O3/c1-21-20-27(22-8-4-3-5-9-22)34-28(21)31(37)35(25-12-14-26(38-2)15-13-25)29(23-16-18-32-19-17-23)30(36)33-24-10-6-7-11-24/h3-5,8-9,12-20,24,29,34H,6-7,10-11H2,1-2H3,(H,33,36).

What are the key properties of N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-methoxyphenyl)-3-methyl-5-phenyl-1H-pyrrole-2-carboxamide?

N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-methoxyphenyl)-3-methyl-5-phenyl-1H-pyrrole-2-carboxamide has a molecular weight of 508.62 g/mol, XLogP of 5.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-methoxyphenyl)-3-methyl-5-phenyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 135264106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).