2-[8-(methylamino)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide

C18H21N5O2 — CID 151533016

About 2-[8-(methylamino)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide

2-[8-(methylamino)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide (PubChem CID 151533016) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-[8-(methylamino)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[8-(methylamino)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
• PubChem CID: 151533016
• Molecular Formula: C18H21N5O2
• Molecular Weight: 339.40 g/mol
• Exact Mass: 339.17
• IUPAC Name: 2-[8-(methylamino)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
• SMILES: CNc1cccn2c(=O)n(CC(=O)N[C@@H](C)c3ccc(C)cc3)nc12
• InChI: InChI=1S/C18H21N5O2/c1-12-6-8-14(9-7-12)13(2)20-16(24)11-23-18(25)22-10-4-5-15(19-3)17(22)21-23/h4-10,13,19H,11H2,1-3H3,(H,20,24)/t13-/m0/s1
• InChIKey: PWWJTXWXHGOUFM-ZDUSSCGKSA-N
• XLogP: 1.72
• TPSA: 80.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.40
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[8-(methylamino)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?

The IUPAC name of 2-[8-(methylamino)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide (CID 151533016) is 2-[8-(methylamino)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide.

What is the SMILES notation for 2-[8-(methylamino)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?

The canonical SMILES for 2-[8-(methylamino)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide is CNc1cccn2c(=O)n(CC(=O)N[C@@H](C)c3ccc(C)cc3)nc12.

What is the InChIKey of 2-[8-(methylamino)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?

The InChIKey is PWWJTXWXHGOUFM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-12-6-8-14(9-7-12)13(2)20-16(24)11-23-18(25)22-10-4-5-15(19-3)17(22)21-23/h4-10,13,19H,11H2,1-3H3,(H,20,24)/t13-/m0/s1.

What are the key properties of 2-[8-(methylamino)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?

2-[8-(methylamino)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide has a molecular weight of 339.40 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-(methylamino)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 151533016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).