N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodo-N-(3-methylbutyl)benzamide

C24H29IN4O — CID 18734106

About N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodo-N-(3-methylbutyl)benzamide

N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodo-N-(3-methylbutyl)benzamide (PubChem CID 18734106) has the molecular formula C24H29IN4O and a molecular weight of 516.43 g/mol. Its IUPAC name is N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodo-N-(3-methylbutyl)benzamide.

Molecular Properties

• Compound Name: N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodo-N-(3-methylbutyl)benzamide
• PubChem CID: 18734106
• Molecular Formula: C24H29IN4O
• Molecular Weight: 516.43 g/mol
• Exact Mass: 516.14
• IUPAC Name: N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodo-N-(3-methylbutyl)benzamide
• SMILES: CC(C)CCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1ccc(I)cc1
• InChI: InChI=1S/C24H29IN4O/c1-17(2)13-15-28(24(30)18-9-11-19(25)12-10-18)16-22-27-21-8-5-14-26-23(21)29(22)20-6-3-4-7-20/h5,8-12,14,17,20H,3-4,6-7,13,15-16H2,1-2H3
• InChIKey: JGNKLFPNMINYAE-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 51.02 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.43
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodo-N-(3-methylbutyl)benzamide?

The IUPAC name of N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodo-N-(3-methylbutyl)benzamide (CID 18734106) is N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodo-N-(3-methylbutyl)benzamide.

What is the SMILES notation for N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodo-N-(3-methylbutyl)benzamide?

The canonical SMILES for N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodo-N-(3-methylbutyl)benzamide is CC(C)CCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1ccc(I)cc1.

What is the InChIKey of N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodo-N-(3-methylbutyl)benzamide?

The InChIKey is JGNKLFPNMINYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29IN4O/c1-17(2)13-15-28(24(30)18-9-11-19(25)12-10-18)16-22-27-21-8-5-14-26-23(21)29(22)20-6-3-4-7-20/h5,8-12,14,17,20H,3-4,6-7,13,15-16H2,1-2H3.

What are the key properties of N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodo-N-(3-methylbutyl)benzamide?

N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodo-N-(3-methylbutyl)benzamide has a molecular weight of 516.43 g/mol, XLogP of 5.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodo-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 18734106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).