N-[(2,4-difluorophenyl)methyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C19H18F2N4O2 — CID 134802581

About N-[(2,4-difluorophenyl)methyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-[(2,4-difluorophenyl)methyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 134802581) has the molecular formula C19H18F2N4O2 and a molecular weight of 372.38 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-[(2,4-difluorophenyl)methyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• PubChem CID: 134802581
• Molecular Formula: C19H18F2N4O2
• Molecular Weight: 372.38 g/mol
• Exact Mass: 372.14
• IUPAC Name: N-[(2,4-difluorophenyl)methyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• SMILES: O=C(NCc1ccc(F)cc1F)c1ccc2nnc(C3CCOCC3)n2c1
• InChI: InChI=1S/C19H18F2N4O2/c20-15-3-1-13(16(21)9-15)10-22-19(26)14-2-4-17-23-24-18(25(17)11-14)12-5-7-27-8-6-12/h1-4,9,11-12H,5-8,10H2,(H,22,26)
• InChIKey: HIWGKYACEJLFIX-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 68.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.38
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The IUPAC name of N-[(2,4-difluorophenyl)methyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 134802581) is N-[(2,4-difluorophenyl)methyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is O=C(NCc1ccc(F)cc1F)c1ccc2nnc(C3CCOCC3)n2c1.

What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The InChIKey is HIWGKYACEJLFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2/c20-15-3-1-13(16(21)9-15)10-22-19(26)14-2-4-17-23-24-18(25(17)11-14)12-5-7-27-8-6-12/h1-4,9,11-12H,5-8,10H2,(H,22,26).

What are the key properties of N-[(2,4-difluorophenyl)methyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

N-[(2,4-difluorophenyl)methyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 372.38 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,4-difluorophenyl)methyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 134802581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).