N,N-dibutyl-2-(cyclohexylamino)-3-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyridine-5-carboxamide;methane

C30H52N6O — CID 158297034

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

N,N-dibutyl-2-(cyclohexylamino)-3-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyridine-5-carboxamide;methane (PubChem CID 158297034) has the molecular formula C30H52N6O and a molecular weight of 512.79 g/mol. Its IUPAC name is N,N-dibutyl-2-(cyclohexylamino)-3-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyridine-5-carboxamide;methane.

Molecular Properties

• Compound Name: N,N-dibutyl-2-(cyclohexylamino)-3-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyridine-5-carboxamide;methane
• PubChem CID: 158297034
• Molecular Formula: C30H52N6O
• Molecular Weight: 512.79 g/mol
• Exact Mass: 512.42
• IUPAC Name: N,N-dibutyl-2-(cyclohexylamino)-3-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyridine-5-carboxamide;methane
• SMILES: C.CCCCN(CCCC)C(=O)c1ccc2nc(NC3CCCCC3)n(CCCN3CCCCC3)c2n1
• InChI: InChI=1S/C29H48N6O.CH4/c1-3-5-21-34(22-6-4-2)28(36)26-17-16-25-27(31-26)35(23-13-20-33-18-11-8-12-19-33)29(32-25)30-24-14-9-7-10-15-24;/h16-17,24H,3-15,18-23H2,1-2H3,(H,30,32);1H4
• InChIKey: GMAQKDJFTUNCMG-UHFFFAOYSA-N
• XLogP: 6.73
• TPSA: 66.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.79
LogP ≤ 5	6.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N,N-dibutyl-2-(cyclohexylamino)-3-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyridine-5-carboxamide;methane (CID 158297034) is N,N-dibutyl-2-(cyclohexylamino)-3-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyridine-5-carboxamide;methane.

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

The canonical SMILES for N,N-dibutyl-2-(cyclohexylamino)-3-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyridine-5-carboxamide;methane is C.CCCCN(CCCC)C(=O)c1ccc2nc(NC3CCCCC3)n(CCCN3CCCCC3)c2n1.

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

The InChIKey is GMAQKDJFTUNCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H48N6O.CH4/c1-3-5-21-34(22-6-4-2)28(36)26-17-16-25-27(31-26)35(23-13-20-33-18-11-8-12-19-33)29(32-25)30-24-14-9-7-10-15-24;/h16-17,24H,3-15,18-23H2,1-2H3,(H,30,32);1H4.

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

N,N-dibutyl-2-(cyclohexylamino)-3-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyridine-5-carboxamide;methane has a molecular weight of 512.79 g/mol, XLogP of 6.73, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dibutyl-2-(cyclohexylamino)-3-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyridine-5-carboxamide;methane is sourced from PubChem (CID 158297034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).