3-methoxy-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]naphthalene-2-carboxamide

C25H20N4O3 — CID 42960917

About 3-methoxy-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]naphthalene-2-carboxamide

3-methoxy-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]naphthalene-2-carboxamide (PubChem CID 42960917) has the molecular formula C25H20N4O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is 3-methoxy-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: 3-methoxy-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]naphthalene-2-carboxamide
• PubChem CID: 42960917
• Molecular Formula: C25H20N4O3
• Molecular Weight: 424.46 g/mol
• Exact Mass: 424.15
• IUPAC Name: 3-methoxy-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]naphthalene-2-carboxamide
• SMILES: COc1cc2ccccc2cc1C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1
• InChI: InChI=1S/C25H20N4O3/c1-32-22-15-19-9-3-2-8-18(19)14-21(22)24(30)26-20-10-6-7-17(13-20)16-29-25(31)28-12-5-4-11-23(28)27-29/h2-15H,16H2,1H3,(H,26,30)
• InChIKey: AGOYOCYTSZBLBP-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 77.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.46
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]naphthalene-2-carboxamide?

The IUPAC name of 3-methoxy-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]naphthalene-2-carboxamide (CID 42960917) is 3-methoxy-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]naphthalene-2-carboxamide.

What is the SMILES notation for 3-methoxy-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]naphthalene-2-carboxamide?

The canonical SMILES for 3-methoxy-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]naphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1.

What is the InChIKey of 3-methoxy-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]naphthalene-2-carboxamide?

The InChIKey is AGOYOCYTSZBLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3/c1-32-22-15-19-9-3-2-8-18(19)14-21(22)24(30)26-20-10-6-7-17(13-20)16-29-25(31)28-12-5-4-11-23(28)27-29/h2-15H,16H2,1H3,(H,26,30).

What are the key properties of 3-methoxy-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]naphthalene-2-carboxamide?

3-methoxy-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]naphthalene-2-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 42960917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).