N-(4-methoxyphenyl)-3-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C19H21N5O4 — CID 53128356

About N-(4-methoxyphenyl)-3-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-(4-methoxyphenyl)-3-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 53128356) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-(4-methoxyphenyl)-3-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• PubChem CID: 53128356
• Molecular Formula: C19H21N5O4
• Molecular Weight: 383.41 g/mol
• Exact Mass: 383.16
• IUPAC Name: N-(4-methoxyphenyl)-3-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• SMILES: COc1ccc(NC(=O)c2ccc3nn(CC(=O)NC(C)C)c(=O)n3c2)cc1
• InChI: InChI=1S/C19H21N5O4/c1-12(2)20-17(25)11-24-19(27)23-10-13(4-9-16(23)22-24)18(26)21-14-5-7-15(28-3)8-6-14/h4-10,12H,11H2,1-3H3,(H,20,25)(H,21,26)
• InChIKey: HBPDDWOVRLJHFZ-UHFFFAOYSA-N
• XLogP: 1.28
• TPSA: 106.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.41
LogP ≤ 5	1.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The IUPAC name of N-(4-methoxyphenyl)-3-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 53128356) is N-(4-methoxyphenyl)-3-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

What is the SMILES notation for N-(4-methoxyphenyl)-3-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The canonical SMILES for N-(4-methoxyphenyl)-3-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is COc1ccc(NC(=O)c2ccc3nn(CC(=O)NC(C)C)c(=O)n3c2)cc1.

What is the InChIKey of N-(4-methoxyphenyl)-3-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The InChIKey is HBPDDWOVRLJHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-12(2)20-17(25)11-24-19(27)23-10-13(4-9-16(23)22-24)18(26)21-14-5-7-15(28-3)8-6-14/h4-10,12H,11H2,1-3H3,(H,20,25)(H,21,26).

What are the key properties of N-(4-methoxyphenyl)-3-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

N-(4-methoxyphenyl)-3-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methoxyphenyl)-3-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 53128356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).