N-(2,5-dimethylphenyl)-4-(4-pyridin-3-yltriazol-1-yl)piperidine-1-carboxamide

C21H24N6O — CID 30937423

IUPACN-(2,5-dimethylphenyl)-4-(4-pyridin-3-yltriazol-1-yl)piperidine-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)N2CCC(n3cc(-c4cccnc4)nn3)CC2)c1
InChIInChI=1S/C21H24N6O/c1-15-5-6-16(2)19(12-15)23-21(28)26-10-7-18(8-11-26)27-14-20(24-25-27)17-4-3-9-22-13-17/h3-6,9,12-14,18H,7-8,10-11H2,1-2H3,(H,23,28)
InChIKeyIJRZPOBNQKLZNU-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.83
Rot. Bonds3

About N-(2,5-dimethylphenyl)-4-(4-pyridin-3-yltriazol-1-yl)piperidine-1-carboxamide

N-(2,5-dimethylphenyl)-4-(4-pyridin-3-yltriazol-1-yl)piperidine-1-carboxamide (PubChem CID 30937423) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-(4-pyridin-3-yltriazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-(4-pyridin-3-yltriazol-1-yl)piperidine-1-carboxamide
PubChem CID30937423
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC NameN-(2,5-dimethylphenyl)-4-(4-pyridin-3-yltriazol-1-yl)piperidine-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)N2CCC(n3cc(-c4cccnc4)nn3)CC2)c1
InChIInChI=1S/C21H24N6O/c1-15-5-6-16(2)19(12-15)23-21(28)26-10-7-18(8-11-26)27-14-20(24-25-27)17-4-3-9-22-13-17/h3-6,9,12-14,18H,7-8,10-11H2,1-2H3,(H,23,28)
InChIKeyIJRZPOBNQKLZNU-UHFFFAOYSA-N
XLogP3.83
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,5-dimethylphenyl)-4-(4-pyridin-3-yltriazol-1-yl)piperidine-1-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

N-(2,5-dimethylphenyl)-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide
CID 46992891
3-[4-(aminomethyl)triazol-1-yl]-N-(2-methyl-5-pyridin-3-ylphenyl)pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 166364309
(3-fluorophenyl)-[4-(4-pyridin-3-yltriazol-1-yl)piperidin-1-yl]methanone
CID 46984125
1-adamantyl-[4-(4-pyridin-3-yltriazol-1-yl)piperidin-1-yl]methanone
CID 46989611
[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 86264894
N-(2-chlorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150148
N-phenyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150130
N-(2,5-dimethylphenyl)-3-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 156601928
N-(2,5-dimethylphenyl)-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide
CID 46286603
(3-methylphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150088
N-(2-ethylphenyl)-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide
CID 30921570
N-benzoyl-4-(4-phenyltriazol-1-yl)piperidine-1-carboxamide
CID 31134393

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-(4-pyridin-3-yltriazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-4-(4-pyridin-3-yltriazol-1-yl)piperidine-1-carboxamide (CID 30937423) is N-(2,5-dimethylphenyl)-4-(4-pyridin-3-yltriazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-(4-pyridin-3-yltriazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-(4-pyridin-3-yltriazol-1-yl)piperidine-1-carboxamide is Cc1ccc(C)c(NC(=O)N2CCC(n3cc(-c4cccnc4)nn3)CC2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-(4-pyridin-3-yltriazol-1-yl)piperidine-1-carboxamide?
The InChIKey is IJRZPOBNQKLZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-15-5-6-16(2)19(12-15)23-21(28)26-10-7-18(8-11-26)27-14-20(24-25-27)17-4-3-9-22-13-17/h3-6,9,12-14,18H,7-8,10-11H2,1-2H3,(H,23,28).
What are the key properties of N-(2,5-dimethylphenyl)-4-(4-pyridin-3-yltriazol-1-yl)piperidine-1-carboxamide?
N-(2,5-dimethylphenyl)-4-(4-pyridin-3-yltriazol-1-yl)piperidine-1-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-4-(4-pyridin-3-yltriazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 30937423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).