N-(4-iodo-3-pyridin-2-ylphenyl)-6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-3-carboxamide

C24H24IN5O2 — CID 67475642

About N-(4-iodo-3-pyridin-2-ylphenyl)-6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-3-carboxamide

N-(4-iodo-3-pyridin-2-ylphenyl)-6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-3-carboxamide (PubChem CID 67475642) has the molecular formula C24H24IN5O2 and a molecular weight of 541.39 g/mol. Its IUPAC name is N-(4-iodo-3-pyridin-2-ylphenyl)-6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-iodo-3-pyridin-2-ylphenyl)-6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-3-carboxamide
• PubChem CID: 67475642
• Molecular Formula: C24H24IN5O2
• Molecular Weight: 541.39 g/mol
• Exact Mass: 541.10
• IUPAC Name: N-(4-iodo-3-pyridin-2-ylphenyl)-6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-3-carboxamide
• SMILES: O=C(Nc1ccc(I)c(-c2ccccn2)c1)c1ccc(NCCCN2CCCC2=O)nc1
• InChI: InChI=1S/C24H24IN5O2/c25-20-9-8-18(15-19(20)21-5-1-2-11-26-21)29-24(32)17-7-10-22(28-16-17)27-12-4-14-30-13-3-6-23(30)31/h1-2,5,7-11,15-16H,3-4,6,12-14H2,(H,27,28)(H,29,32)
• InChIKey: IDZHMSLBCNCHOI-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 87.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.39
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-3-pyridin-2-ylphenyl)-6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-3-carboxamide?

The IUPAC name of N-(4-iodo-3-pyridin-2-ylphenyl)-6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-3-carboxamide (CID 67475642) is N-(4-iodo-3-pyridin-2-ylphenyl)-6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-3-carboxamide.

What is the SMILES notation for N-(4-iodo-3-pyridin-2-ylphenyl)-6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-3-carboxamide?

The canonical SMILES for N-(4-iodo-3-pyridin-2-ylphenyl)-6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-3-carboxamide is O=C(Nc1ccc(I)c(-c2ccccn2)c1)c1ccc(NCCCN2CCCC2=O)nc1.

What is the InChIKey of N-(4-iodo-3-pyridin-2-ylphenyl)-6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-3-carboxamide?

The InChIKey is IDZHMSLBCNCHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24IN5O2/c25-20-9-8-18(15-19(20)21-5-1-2-11-26-21)29-24(32)17-7-10-22(28-16-17)27-12-4-14-30-13-3-6-23(30)31/h1-2,5,7-11,15-16H,3-4,6,12-14H2,(H,27,28)(H,29,32).

What are the key properties of N-(4-iodo-3-pyridin-2-ylphenyl)-6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-3-carboxamide?

N-(4-iodo-3-pyridin-2-ylphenyl)-6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-3-carboxamide has a molecular weight of 541.39 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-iodo-3-pyridin-2-ylphenyl)-6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-3-carboxamide is sourced from PubChem (CID 67475642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).