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

C18H20N4O2 — CID 152956498

IUPACN-[(1S)-1-(4-methylphenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide
SMILESCc1ccc([C@H](C)NC(=O)C(C)n2nc3ccccn3c2=O)cc1
InChIInChI=1S/C18H20N4O2/c1-12-7-9-15(10-8-12)13(2)19-17(23)14(3)22-18(24)21-11-5-4-6-16(21)20-22/h4-11,13-14H,1-3H3,(H,19,23)/t13-,14?/m0/s1
InChIKeyUPSSIQXMIAXYPI-LSLKUGRBSA-N
MW324.38 g/mol
LogP2.24
Rot. Bonds4

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

N-[(1S)-1-(4-methylphenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide (PubChem CID 152956498) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[(1S)-1-(4-methylphenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methylphenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide
PubChem CID152956498
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[(1S)-1-(4-methylphenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide
SMILESCc1ccc([C@H](C)NC(=O)C(C)n2nc3ccccn3c2=O)cc1
InChIInChI=1S/C18H20N4O2/c1-12-7-9-15(10-8-12)13(2)19-17(23)14(3)22-18(24)21-11-5-4-6-16(21)20-22/h4-11,13-14H,1-3H3,(H,19,23)/t13-,14?/m0/s1
InChIKeyUPSSIQXMIAXYPI-LSLKUGRBSA-N
XLogP2.24
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-(4-methylphenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methylphenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide?
The IUPAC name of N-[(1S)-1-(4-methylphenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide (CID 152956498) is N-[(1S)-1-(4-methylphenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide.
What is the SMILES notation for N-[(1S)-1-(4-methylphenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide?
The canonical SMILES for N-[(1S)-1-(4-methylphenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide is Cc1ccc([C@H](C)NC(=O)C(C)n2nc3ccccn3c2=O)cc1.
What is the InChIKey of N-[(1S)-1-(4-methylphenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide?
The InChIKey is UPSSIQXMIAXYPI-LSLKUGRBSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12-7-9-15(10-8-12)13(2)19-17(23)14(3)22-18(24)21-11-5-4-6-16(21)20-22/h4-11,13-14H,1-3H3,(H,19,23)/t13-,14?/m0/s1.
What are the key properties of N-[(1S)-1-(4-methylphenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide?
N-[(1S)-1-(4-methylphenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide has a molecular weight of 324.38 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methylphenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide is sourced from PubChem (CID 152956498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).