2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

C25H30N4O2 — CID 146070920

IUPAC2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCc1ccc(C)c(Cn2nc3n(c2=O)CCCC3C(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C25H30N4O2/c1-18-12-13-19(2)21(16-18)17-29-25(31)28-15-7-11-22(23(28)27-29)24(30)26-14-6-10-20-8-4-3-5-9-20/h3-5,8-9,12-13,16,22H,6-7,10-11,14-15,17H2,1-2H3,(H,26,30)
InChIKeyIYMBRZIFYQSBFR-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.34
Rot. Bonds7

About 2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 146070920) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID146070920
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCc1ccc(C)c(Cn2nc3n(c2=O)CCCC3C(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C25H30N4O2/c1-18-12-13-19(2)21(16-18)17-29-25(31)28-15-7-11-22(23(28)27-29)24(30)26-14-6-10-20-8-4-3-5-9-20/h3-5,8-9,12-13,16,22H,6-7,10-11,14-15,17H2,1-2H3,(H,26,30)
InChIKeyIYMBRZIFYQSBFR-UHFFFAOYSA-N
XLogP3.34
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[(2,5-dimethylphenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 146072139
N-(cyclopropylmethyl)-2-[(2,5-dimethylphenyl)methyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 146073569
N-(2,2-difluoroethyl)-2-[(2,5-dimethylphenyl)methyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 146072135
2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 146072114
2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(pyrazin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 146072133
2-[(2-chloro-4-fluorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 146073590
2-[(2-chloro-6-fluorophenyl)methyl]-N-(3-methoxypropyl)-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 146072202
N-(3-phenylpropyl)-6-[(2,4,5-trimethylphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45216913
N-[4-(3-methylphenyl)butyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 155607933
(2S)-1-methyl-N-[3-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide
CID 131942484
(3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 92876841
2-[(2-chloro-4-fluorophenyl)methyl]-N-(2,4-difluorophenyl)-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 146072230

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 146070920) is 2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for 2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is Cc1ccc(C)c(Cn2nc3n(c2=O)CCCC3C(=O)NCCCc2ccccc2)c1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is IYMBRZIFYQSBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-18-12-13-19(2)21(16-18)17-29-25(31)28-15-7-11-22(23(28)27-29)24(30)26-14-6-10-20-8-4-3-5-9-20/h3-5,8-9,12-13,16,22H,6-7,10-11,14-15,17H2,1-2H3,(H,26,30).
What are the key properties of 2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 146070920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).