N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-3,3-diphenylpropanamide

C24H24N4O2 — CID 60524723

IUPACN-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)NCCCn1nc2ccccn2c1=O
InChIInChI=1S/C24H24N4O2/c29-23(18-21(19-10-3-1-4-11-19)20-12-5-2-6-13-20)25-15-9-17-28-24(30)27-16-8-7-14-22(27)26-28/h1-8,10-14,16,21H,9,15,17-18H2,(H,25,29)
InChIKeyJQNPMJPKDGIRRG-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.22
Rot. Bonds8

About N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-3,3-diphenylpropanamide

N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-3,3-diphenylpropanamide (PubChem CID 60524723) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-3,3-diphenylpropanamide
PubChem CID60524723
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)NCCCn1nc2ccccn2c1=O
InChIInChI=1S/C24H24N4O2/c29-23(18-21(19-10-3-1-4-11-19)20-12-5-2-6-13-20)25-15-9-17-28-24(30)27-16-8-7-14-22(27)26-28/h1-8,10-14,16,21H,9,15,17-18H2,(H,25,29)
InChIKeyJQNPMJPKDGIRRG-UHFFFAOYSA-N
XLogP3.22
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylphenyl)sulfanyl-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide
CID 55865445
2-(3,4-dichlorophenyl)-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide
CID 60565783
1-[(2R)-butan-2-yl]-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea
CID 94796607
(2R)-2-(diethylamino)-3-methyl-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide
CID 95327050
N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 55861984
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 78849558
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide
CID 55863625
2-[3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 61387565
2-(5-oxohexyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017705
methyl 4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)butanoate
CID 43378341
2-(6-chlorohexyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62229478
N-(3,3-diphenylpropyl)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropanamide
CID 5074475

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-3,3-diphenylpropanamide?
The IUPAC name of N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-3,3-diphenylpropanamide (CID 60524723) is N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-3,3-diphenylpropanamide is O=C(CC(c1ccccc1)c1ccccc1)NCCCn1nc2ccccn2c1=O.
What is the InChIKey of N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-3,3-diphenylpropanamide?
The InChIKey is JQNPMJPKDGIRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c29-23(18-21(19-10-3-1-4-11-19)20-12-5-2-6-13-20)25-15-9-17-28-24(30)27-16-8-7-14-22(27)26-28/h1-8,10-14,16,21H,9,15,17-18H2,(H,25,29).
What are the key properties of N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-3,3-diphenylpropanamide?
N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-3,3-diphenylpropanamide has a molecular weight of 400.48 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-3,3-diphenylpropanamide is sourced from PubChem (CID 60524723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).