N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide

C22H19N5O3 — CID 55851335

About N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide

N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 55851335) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
• PubChem CID: 55851335
• Molecular Formula: C22H19N5O3
• Molecular Weight: 401.43 g/mol
• Exact Mass: 401.15
• IUPAC Name: N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
• SMILES: COc1ccccc1-c1nc(NC(=O)c2ccc(-c3cccc(C)c3)[nH]c2=O)n[nH]1
• InChI: InChI=1S/C22H19N5O3/c1-13-6-5-7-14(12-13)17-11-10-16(20(28)23-17)21(29)25-22-24-19(26-27-22)15-8-3-4-9-18(15)30-2/h3-12H,1-2H3,(H,23,28)(H2,24,25,26,27,29)
• InChIKey: NZZHUHYBAFZFNJ-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 112.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.43
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?

The IUPAC name of N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide (CID 55851335) is N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide.

What is the SMILES notation for N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?

The canonical SMILES for N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide is COc1ccccc1-c1nc(NC(=O)c2ccc(-c3cccc(C)c3)[nH]c2=O)n[nH]1.

What is the InChIKey of N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?

The InChIKey is NZZHUHYBAFZFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3/c1-13-6-5-7-14(12-13)17-11-10-16(20(28)23-17)21(29)25-22-24-19(26-27-22)15-8-3-4-9-18(15)30-2/h3-12H,1-2H3,(H,23,28)(H2,24,25,26,27,29).

What are the key properties of N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?

N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 3.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 55851335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).