N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-(propan-2-ylamino)imidazo[4,5-b]pyridine-5-carboxamide

C26H44N6O — CID 56601912

About N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-(propan-2-ylamino)imidazo[4,5-b]pyridine-5-carboxamide

N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-(propan-2-ylamino)imidazo[4,5-b]pyridine-5-carboxamide (PubChem CID 56601912) has the molecular formula C26H44N6O and a molecular weight of 456.68 g/mol. Its IUPAC name is N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-(propan-2-ylamino)imidazo[4,5-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-(propan-2-ylamino)imidazo[4,5-b]pyridine-5-carboxamide
• PubChem CID: 56601912
• Molecular Formula: C26H44N6O
• Molecular Weight: 456.68 g/mol
• Exact Mass: 456.36
• IUPAC Name: N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-(propan-2-ylamino)imidazo[4,5-b]pyridine-5-carboxamide
• SMILES: CCCCN(CCCC)C(=O)c1ccc2nc(NC(C)C)n(CCCN3CCCCC3)c2n1
• InChI: InChI=1S/C26H44N6O/c1-5-7-18-31(19-8-6-2)25(33)23-14-13-22-24(28-23)32(26(29-22)27-21(3)4)20-12-17-30-15-10-9-11-16-30/h13-14,21H,5-12,15-20H2,1-4H3,(H,27,29)
• InChIKey: BRSWKKPUCXIREO-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 66.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.68
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-(propan-2-ylamino)imidazo[4,5-b]pyridine-5-carboxamide?

The IUPAC name of N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-(propan-2-ylamino)imidazo[4,5-b]pyridine-5-carboxamide (CID 56601912) is N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-(propan-2-ylamino)imidazo[4,5-b]pyridine-5-carboxamide.

What is the SMILES notation for N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-(propan-2-ylamino)imidazo[4,5-b]pyridine-5-carboxamide?

The canonical SMILES for N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-(propan-2-ylamino)imidazo[4,5-b]pyridine-5-carboxamide is CCCCN(CCCC)C(=O)c1ccc2nc(NC(C)C)n(CCCN3CCCCC3)c2n1.

What is the InChIKey of N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-(propan-2-ylamino)imidazo[4,5-b]pyridine-5-carboxamide?

The InChIKey is BRSWKKPUCXIREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44N6O/c1-5-7-18-31(19-8-6-2)25(33)23-14-13-22-24(28-23)32(26(29-22)27-21(3)4)20-12-17-30-15-10-9-11-16-30/h13-14,21H,5-12,15-20H2,1-4H3,(H,27,29).

What are the key properties of N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-(propan-2-ylamino)imidazo[4,5-b]pyridine-5-carboxamide?

N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-(propan-2-ylamino)imidazo[4,5-b]pyridine-5-carboxamide has a molecular weight of 456.68 g/mol, XLogP of 5.17, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-(propan-2-ylamino)imidazo[4,5-b]pyridine-5-carboxamide is sourced from PubChem (CID 56601912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).