N-[5-[4-[(3-butylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide

C24H31N5O — CID 134216793

About N-[5-[4-[(3-butylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide

N-[5-[4-[(3-butylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide (PubChem CID 134216793) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is N-[5-[4-[(3-butylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[5-[4-[(3-butylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide
• PubChem CID: 134216793
• Molecular Formula: C24H31N5O
• Molecular Weight: 405.55 g/mol
• Exact Mass: 405.25
• IUPAC Name: N-[5-[4-[(3-butylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide
• SMILES: CCCCC1CN(Cc2ccc(-c3cccc4nc(NC(=O)C(C)C)nn34)cc2)C1
• InChI: InChI=1S/C24H31N5O/c1-4-5-7-19-15-28(16-19)14-18-10-12-20(13-11-18)21-8-6-9-22-25-24(27-29(21)22)26-23(30)17(2)3/h6,8-13,17,19H,4-5,7,14-16H2,1-3H3,(H,26,27,30)
• InChIKey: WHJVENFTEWJYFE-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 62.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.55
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[(3-butylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide?

The IUPAC name of N-[5-[4-[(3-butylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide (CID 134216793) is N-[5-[4-[(3-butylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide.

What is the SMILES notation for N-[5-[4-[(3-butylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide?

The canonical SMILES for N-[5-[4-[(3-butylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide is CCCCC1CN(Cc2ccc(-c3cccc4nc(NC(=O)C(C)C)nn34)cc2)C1.

What is the InChIKey of N-[5-[4-[(3-butylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide?

The InChIKey is WHJVENFTEWJYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O/c1-4-5-7-19-15-28(16-19)14-18-10-12-20(13-11-18)21-8-6-9-22-25-24(27-29(21)22)26-23(30)17(2)3/h6,8-13,17,19H,4-5,7,14-16H2,1-3H3,(H,26,27,30).

What are the key properties of N-[5-[4-[(3-butylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide?

N-[5-[4-[(3-butylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide has a molecular weight of 405.55 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-[(3-butylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylpropanamide is sourced from PubChem (CID 134216793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).