N-(2-amino-1-cyclohexyl-2-oxo-1-pyridin-4-ylethyl)-N-benzyl-5-phenyl-1H-pyrrole-2-carboxamide

C31H32N4O2 — CID 21156807

About N-(2-amino-1-cyclohexyl-2-oxo-1-pyridin-4-ylethyl)-N-benzyl-5-phenyl-1H-pyrrole-2-carboxamide

N-(2-amino-1-cyclohexyl-2-oxo-1-pyridin-4-ylethyl)-N-benzyl-5-phenyl-1H-pyrrole-2-carboxamide (PubChem CID 21156807) has the molecular formula C31H32N4O2 and a molecular weight of 492.62 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexyl-2-oxo-1-pyridin-4-ylethyl)-N-benzyl-5-phenyl-1H-pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: N-(2-amino-1-cyclohexyl-2-oxo-1-pyridin-4-ylethyl)-N-benzyl-5-phenyl-1H-pyrrole-2-carboxamide
• PubChem CID: 21156807
• Molecular Formula: C31H32N4O2
• Molecular Weight: 492.62 g/mol
• Exact Mass: 492.25
• IUPAC Name: N-(2-amino-1-cyclohexyl-2-oxo-1-pyridin-4-ylethyl)-N-benzyl-5-phenyl-1H-pyrrole-2-carboxamide
• SMILES: NC(=O)C(c1ccncc1)(C1CCCCC1)N(Cc1ccccc1)C(=O)c1ccc(-c2ccccc2)[nH]1
• InChI: InChI=1S/C31H32N4O2/c32-30(37)31(25-14-8-3-9-15-25,26-18-20-33-21-19-26)35(22-23-10-4-1-5-11-23)29(36)28-17-16-27(34-28)24-12-6-2-7-13-24/h1-2,4-7,10-13,16-21,25,34H,3,8-9,14-15,22H2,(H2,32,37)
• InChIKey: IJXLEZXAXBBCEX-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 92.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.62
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexyl-2-oxo-1-pyridin-4-ylethyl)-N-benzyl-5-phenyl-1H-pyrrole-2-carboxamide?

The IUPAC name of N-(2-amino-1-cyclohexyl-2-oxo-1-pyridin-4-ylethyl)-N-benzyl-5-phenyl-1H-pyrrole-2-carboxamide (CID 21156807) is N-(2-amino-1-cyclohexyl-2-oxo-1-pyridin-4-ylethyl)-N-benzyl-5-phenyl-1H-pyrrole-2-carboxamide.

What is the SMILES notation for N-(2-amino-1-cyclohexyl-2-oxo-1-pyridin-4-ylethyl)-N-benzyl-5-phenyl-1H-pyrrole-2-carboxamide?

The canonical SMILES for N-(2-amino-1-cyclohexyl-2-oxo-1-pyridin-4-ylethyl)-N-benzyl-5-phenyl-1H-pyrrole-2-carboxamide is NC(=O)C(c1ccncc1)(C1CCCCC1)N(Cc1ccccc1)C(=O)c1ccc(-c2ccccc2)[nH]1.

What is the InChIKey of N-(2-amino-1-cyclohexyl-2-oxo-1-pyridin-4-ylethyl)-N-benzyl-5-phenyl-1H-pyrrole-2-carboxamide?

The InChIKey is IJXLEZXAXBBCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O2/c32-30(37)31(25-14-8-3-9-15-25,26-18-20-33-21-19-26)35(22-23-10-4-1-5-11-23)29(36)28-17-16-27(34-28)24-12-6-2-7-13-24/h1-2,4-7,10-13,16-21,25,34H,3,8-9,14-15,22H2,(H2,32,37).

What are the key properties of N-(2-amino-1-cyclohexyl-2-oxo-1-pyridin-4-ylethyl)-N-benzyl-5-phenyl-1H-pyrrole-2-carboxamide?

N-(2-amino-1-cyclohexyl-2-oxo-1-pyridin-4-ylethyl)-N-benzyl-5-phenyl-1H-pyrrole-2-carboxamide has a molecular weight of 492.62 g/mol, XLogP of 5.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-amino-1-cyclohexyl-2-oxo-1-pyridin-4-ylethyl)-N-benzyl-5-phenyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 21156807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).