3-[butyl(methyl)amino]-N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]propanamide

C24H30N6O — CID 108746807

About 3-[butyl(methyl)amino]-N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]propanamide

3-[butyl(methyl)amino]-N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]propanamide (PubChem CID 108746807) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is 3-[butyl(methyl)amino]-N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]propanamide.

Molecular Properties

• Compound Name: 3-[butyl(methyl)amino]-N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]propanamide
• PubChem CID: 108746807
• Molecular Formula: C24H30N6O
• Molecular Weight: 418.55 g/mol
• Exact Mass: 418.25
• IUPAC Name: 3-[butyl(methyl)amino]-N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]propanamide
• SMILES: CCCCN(C)CCC(=O)Nc1c(C#N)cnn1-c1cc(C)c2cc(C)cc(C)c2n1
• InChI: InChI=1S/C24H30N6O/c1-6-7-9-29(5)10-8-22(31)28-24-19(14-25)15-26-30(24)21-13-17(3)20-12-16(2)11-18(4)23(20)27-21/h11-13,15H,6-10H2,1-5H3,(H,28,31)
• InChIKey: QUXZECGZTBNATJ-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 86.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.55
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methyl)amino]-N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]propanamide?

The IUPAC name of 3-[butyl(methyl)amino]-N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]propanamide (CID 108746807) is 3-[butyl(methyl)amino]-N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]propanamide.

What is the SMILES notation for 3-[butyl(methyl)amino]-N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]propanamide?

The canonical SMILES for 3-[butyl(methyl)amino]-N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]propanamide is CCCCN(C)CCC(=O)Nc1c(C#N)cnn1-c1cc(C)c2cc(C)cc(C)c2n1.

What is the InChIKey of 3-[butyl(methyl)amino]-N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]propanamide?

The InChIKey is QUXZECGZTBNATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c1-6-7-9-29(5)10-8-22(31)28-24-19(14-25)15-26-30(24)21-13-17(3)20-12-16(2)11-18(4)23(20)27-21/h11-13,15H,6-10H2,1-5H3,(H,28,31).

What are the key properties of 3-[butyl(methyl)amino]-N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]propanamide?

3-[butyl(methyl)amino]-N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]propanamide has a molecular weight of 418.55 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[butyl(methyl)amino]-N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]propanamide is sourced from PubChem (CID 108746807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).