2-(3,4-dimethoxyphenyl)-N,N-dipropyl-3-(4-pyrrolidin-1-ylbutyl)imidazo[4,5-b]pyridine-6-carboxamide

C29H41N5O3 — CID 171692130

About 2-(3,4-dimethoxyphenyl)-N,N-dipropyl-3-(4-pyrrolidin-1-ylbutyl)imidazo[4,5-b]pyridine-6-carboxamide

2-(3,4-dimethoxyphenyl)-N,N-dipropyl-3-(4-pyrrolidin-1-ylbutyl)imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 171692130) has the molecular formula C29H41N5O3 and a molecular weight of 507.68 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N,N-dipropyl-3-(4-pyrrolidin-1-ylbutyl)imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 2-(3,4-dimethoxyphenyl)-N,N-dipropyl-3-(4-pyrrolidin-1-ylbutyl)imidazo[4,5-b]pyridine-6-carboxamide
• PubChem CID: 171692130
• Molecular Formula: C29H41N5O3
• Molecular Weight: 507.68 g/mol
• Exact Mass: 507.32
• IUPAC Name: 2-(3,4-dimethoxyphenyl)-N,N-dipropyl-3-(4-pyrrolidin-1-ylbutyl)imidazo[4,5-b]pyridine-6-carboxamide
• SMILES: CCCN(CCC)C(=O)c1cnc2c(c1)nc(-c1ccc(OC)c(OC)c1)n2CCCCN1CCCC1
• InChI: InChI=1S/C29H41N5O3/c1-5-13-33(14-6-2)29(35)23-19-24-28(30-21-23)34(18-10-9-17-32-15-7-8-16-32)27(31-24)22-11-12-25(36-3)26(20-22)37-4/h11-12,19-21H,5-10,13-18H2,1-4H3
• InChIKey: CYEVARVIUMZUGJ-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 72.72 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.68
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N,N-dipropyl-3-(4-pyrrolidin-1-ylbutyl)imidazo[4,5-b]pyridine-6-carboxamide?

The IUPAC name of 2-(3,4-dimethoxyphenyl)-N,N-dipropyl-3-(4-pyrrolidin-1-ylbutyl)imidazo[4,5-b]pyridine-6-carboxamide (CID 171692130) is 2-(3,4-dimethoxyphenyl)-N,N-dipropyl-3-(4-pyrrolidin-1-ylbutyl)imidazo[4,5-b]pyridine-6-carboxamide.

What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N,N-dipropyl-3-(4-pyrrolidin-1-ylbutyl)imidazo[4,5-b]pyridine-6-carboxamide?

The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N,N-dipropyl-3-(4-pyrrolidin-1-ylbutyl)imidazo[4,5-b]pyridine-6-carboxamide is CCCN(CCC)C(=O)c1cnc2c(c1)nc(-c1ccc(OC)c(OC)c1)n2CCCCN1CCCC1.

What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N,N-dipropyl-3-(4-pyrrolidin-1-ylbutyl)imidazo[4,5-b]pyridine-6-carboxamide?

The InChIKey is CYEVARVIUMZUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N5O3/c1-5-13-33(14-6-2)29(35)23-19-24-28(30-21-23)34(18-10-9-17-32-15-7-8-16-32)27(31-24)22-11-12-25(36-3)26(20-22)37-4/h11-12,19-21H,5-10,13-18H2,1-4H3.

What are the key properties of 2-(3,4-dimethoxyphenyl)-N,N-dipropyl-3-(4-pyrrolidin-1-ylbutyl)imidazo[4,5-b]pyridine-6-carboxamide?

2-(3,4-dimethoxyphenyl)-N,N-dipropyl-3-(4-pyrrolidin-1-ylbutyl)imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 507.68 g/mol, XLogP of 5.25, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dimethoxyphenyl)-N,N-dipropyl-3-(4-pyrrolidin-1-ylbutyl)imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 171692130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).