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

C21H24N6O — CID 46992891

IUPACN-(2,5-dimethylphenyl)-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)N2CCC(n3cc(-c4ccccn4)nn3)CC2)c1
InChIInChI=1S/C21H24N6O/c1-15-6-7-16(2)19(13-15)23-21(28)26-11-8-17(9-12-26)27-14-20(24-25-27)18-5-3-4-10-22-18/h3-7,10,13-14,17H,8-9,11-12H2,1-2H3,(H,23,28)
InChIKeyTVLJUMZJEYTRMT-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.83
Rot. Bonds3

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

N-(2,5-dimethylphenyl)-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide (PubChem CID 46992891) 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-2-yltriazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide
PubChem CID46992891
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC NameN-(2,5-dimethylphenyl)-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)N2CCC(n3cc(-c4ccccn4)nn3)CC2)c1
InChIInChI=1S/C21H24N6O/c1-15-6-7-16(2)19(13-15)23-21(28)26-11-8-17(9-12-26)27-14-20(24-25-27)18-5-3-4-10-22-18/h3-7,10,13-14,17H,8-9,11-12H2,1-2H3,(H,23,28)
InChIKeyTVLJUMZJEYTRMT-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

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Related Compounds

N-(2,5-dimethylphenyl)-4-(4-pyridin-3-yltriazol-1-yl)piperidine-1-carboxamide
CID 30937423
N-(2-ethylphenyl)-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide
CID 30921570
2-(3-methylphenoxy)-1-[4-(4-pyridin-2-yltriazol-1-yl)piperidin-1-yl]ethanone
CID 46990972
N-(2,5-dimethylphenyl)-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide
CID 46286603
2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(4-pyridin-2-yltriazol-1-yl)piperidin-1-yl]ethanone
CID 46992967
N-(2,5-dimethylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 50799662
4-(4-tert-butyltriazol-1-yl)-N-(3,4-dimethylphenyl)piperidine-1-carboxamide
CID 47000489
(3-methylphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150088
4-(6-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)piperidine-1-carboxamide
CID 50828302
N-benzoyl-4-(4-phenyltriazol-1-yl)piperidine-1-carboxamide
CID 31134393
N-(2-chlorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150148
N-(2,5-dimethylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119669252

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide (CID 46992891) is N-(2,5-dimethylphenyl)-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide is Cc1ccc(C)c(NC(=O)N2CCC(n3cc(-c4ccccn4)nn3)CC2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide?
The InChIKey is TVLJUMZJEYTRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-15-6-7-16(2)19(13-15)23-21(28)26-11-8-17(9-12-26)27-14-20(24-25-27)18-5-3-4-10-22-18/h3-7,10,13-14,17H,8-9,11-12H2,1-2H3,(H,23,28).
What are the key properties of N-(2,5-dimethylphenyl)-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide?
N-(2,5-dimethylphenyl)-4-(4-pyridin-2-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-2-yltriazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 46992891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).