N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-[2-(diethylamino)ethyl]-5-phenyl-1H-pyrrole-2-carboxamide

C30H39N5O2 — CID 3180707

About N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-[2-(diethylamino)ethyl]-5-phenyl-1H-pyrrole-2-carboxamide

N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-[2-(diethylamino)ethyl]-5-phenyl-1H-pyrrole-2-carboxamide (PubChem CID 3180707) has the molecular formula C30H39N5O2 and a molecular weight of 501.68 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-[2-(diethylamino)ethyl]-5-phenyl-1H-pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-[2-(diethylamino)ethyl]-5-phenyl-1H-pyrrole-2-carboxamide
• PubChem CID: 3180707
• Molecular Formula: C30H39N5O2
• Molecular Weight: 501.68 g/mol
• Exact Mass: 501.31
• IUPAC Name: N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-[2-(diethylamino)ethyl]-5-phenyl-1H-pyrrole-2-carboxamide
• SMILES: CCN(CC)CCN(C(=O)c1ccc(-c2ccccc2)[nH]1)C(C(=O)NC1CCCCC1)c1ccncc1
• InChI: InChI=1S/C30H39N5O2/c1-3-34(4-2)21-22-35(30(37)27-16-15-26(33-27)23-11-7-5-8-12-23)28(24-17-19-31-20-18-24)29(36)32-25-13-9-6-10-14-25/h5,7-8,11-12,15-20,25,28,33H,3-4,6,9-10,13-14,21-22H2,1-2H3,(H,32,36)
• InChIKey: ONRXSZRRTCLZDN-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 81.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.68
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-[2-(diethylamino)ethyl]-5-phenyl-1H-pyrrole-2-carboxamide?

The IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-[2-(diethylamino)ethyl]-5-phenyl-1H-pyrrole-2-carboxamide (CID 3180707) is N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-[2-(diethylamino)ethyl]-5-phenyl-1H-pyrrole-2-carboxamide.

What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-[2-(diethylamino)ethyl]-5-phenyl-1H-pyrrole-2-carboxamide?

The canonical SMILES for N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-[2-(diethylamino)ethyl]-5-phenyl-1H-pyrrole-2-carboxamide is CCN(CC)CCN(C(=O)c1ccc(-c2ccccc2)[nH]1)C(C(=O)NC1CCCCC1)c1ccncc1.

What is the InChIKey of N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-[2-(diethylamino)ethyl]-5-phenyl-1H-pyrrole-2-carboxamide?

The InChIKey is ONRXSZRRTCLZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N5O2/c1-3-34(4-2)21-22-35(30(37)27-16-15-26(33-27)23-11-7-5-8-12-23)28(24-17-19-31-20-18-24)29(36)32-25-13-9-6-10-14-25/h5,7-8,11-12,15-20,25,28,33H,3-4,6,9-10,13-14,21-22H2,1-2H3,(H,32,36).

What are the key properties of N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-[2-(diethylamino)ethyl]-5-phenyl-1H-pyrrole-2-carboxamide?

N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-[2-(diethylamino)ethyl]-5-phenyl-1H-pyrrole-2-carboxamide has a molecular weight of 501.68 g/mol, XLogP of 5.05, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-[2-(diethylamino)ethyl]-5-phenyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 3180707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).