N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-hexyl-N-propylbenzamide

C27H36N4O — CID 18734179

About N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-hexyl-N-propylbenzamide

N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-hexyl-N-propylbenzamide (PubChem CID 18734179) has the molecular formula C27H36N4O and a molecular weight of 432.61 g/mol. Its IUPAC name is N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-hexyl-N-propylbenzamide.

Molecular Properties

• Compound Name: N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-hexyl-N-propylbenzamide
• PubChem CID: 18734179
• Molecular Formula: C27H36N4O
• Molecular Weight: 432.61 g/mol
• Exact Mass: 432.29
• IUPAC Name: N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-hexyl-N-propylbenzamide
• SMILES: CCCCCCc1ccc(C(=O)N(CCC)Cc2nc3cccnc3n2CC2CC2)cc1
• InChI: InChI=1S/C27H36N4O/c1-3-5-6-7-9-21-13-15-23(16-14-21)27(32)30(18-4-2)20-25-29-24-10-8-17-28-26(24)31(25)19-22-11-12-22/h8,10,13-17,22H,3-7,9,11-12,18-20H2,1-2H3
• InChIKey: LUGAIULGTJVCQJ-UHFFFAOYSA-N
• XLogP: 6.02
• TPSA: 51.02 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.61
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-hexyl-N-propylbenzamide?

The IUPAC name of N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-hexyl-N-propylbenzamide (CID 18734179) is N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-hexyl-N-propylbenzamide.

What is the SMILES notation for N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-hexyl-N-propylbenzamide?

The canonical SMILES for N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-hexyl-N-propylbenzamide is CCCCCCc1ccc(C(=O)N(CCC)Cc2nc3cccnc3n2CC2CC2)cc1.

What is the InChIKey of N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-hexyl-N-propylbenzamide?

The InChIKey is LUGAIULGTJVCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O/c1-3-5-6-7-9-21-13-15-23(16-14-21)27(32)30(18-4-2)20-25-29-24-10-8-17-28-26(24)31(25)19-22-11-12-22/h8,10,13-17,22H,3-7,9,11-12,18-20H2,1-2H3.

What are the key properties of N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-hexyl-N-propylbenzamide?

N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-hexyl-N-propylbenzamide has a molecular weight of 432.61 g/mol, XLogP of 6.02, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-hexyl-N-propylbenzamide is sourced from PubChem (CID 18734179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).