N-(4-ethylphenyl)-4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanamide

C23H30N4O — CID 46359991

About N-(4-ethylphenyl)-4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanamide

N-(4-ethylphenyl)-4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanamide (PubChem CID 46359991) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanamide.

Molecular Properties

• Compound Name: N-(4-ethylphenyl)-4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanamide
• PubChem CID: 46359991
• Molecular Formula: C23H30N4O
• Molecular Weight: 378.52 g/mol
• Exact Mass: 378.24
• IUPAC Name: N-(4-ethylphenyl)-4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanamide
• SMILES: CCc1ccc(NC(=O)CCCc2nc3cccnc3n2CCC(C)C)cc1
• InChI: InChI=1S/C23H30N4O/c1-4-18-10-12-19(13-11-18)25-22(28)9-5-8-21-26-20-7-6-15-24-23(20)27(21)16-14-17(2)3/h6-7,10-13,15,17H,4-5,8-9,14,16H2,1-3H3,(H,25,28)
• InChIKey: QQVWSYRGQNQQQP-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	378.52
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanamide?

The IUPAC name of N-(4-ethylphenyl)-4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanamide (CID 46359991) is N-(4-ethylphenyl)-4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanamide.

What is the SMILES notation for N-(4-ethylphenyl)-4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanamide?

The canonical SMILES for N-(4-ethylphenyl)-4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanamide is CCc1ccc(NC(=O)CCCc2nc3cccnc3n2CCC(C)C)cc1.

What is the InChIKey of N-(4-ethylphenyl)-4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanamide?

The InChIKey is QQVWSYRGQNQQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-4-18-10-12-19(13-11-18)25-22(28)9-5-8-21-26-20-7-6-15-24-23(20)27(21)16-14-17(2)3/h6-7,10-13,15,17H,4-5,8-9,14,16H2,1-3H3,(H,25,28).

What are the key properties of N-(4-ethylphenyl)-4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanamide?

N-(4-ethylphenyl)-4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanamide has a molecular weight of 378.52 g/mol, XLogP of 5.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-ethylphenyl)-4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanamide is sourced from PubChem (CID 46359991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).