N-(6-methyl-2-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide

C14H18N6O — CID 63283426

IUPACN-(6-methyl-2-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2cn(C3CCNCC3)nn2)n1
InChIInChI=1S/C14H18N6O/c1-10-3-2-4-13(16-10)17-14(21)12-9-20(19-18-12)11-5-7-15-8-6-11/h2-4,9,11,15H,5-8H2,1H3,(H,16,17,21)
InChIKeyYXZBAQKDOKYYAZ-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.16
Rot. Bonds3

About N-(6-methyl-2-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide

N-(6-methyl-2-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 63283426) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID63283426
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC NameN-(6-methyl-2-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2cn(C3CCNCC3)nn2)n1
InChIInChI=1S/C14H18N6O/c1-10-3-2-4-13(16-10)17-14(21)12-9-20(19-18-12)11-5-7-15-8-6-11/h2-4,9,11,15H,5-8H2,1H3,(H,16,17,21)
InChIKeyYXZBAQKDOKYYAZ-UHFFFAOYSA-N
XLogP1.16
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670454
N-(2-chlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282984
N-(2,3-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119707837
N-(2,5-dimethylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119669252
N-(3-bromo-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119704614
methyl 3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
CID 119679642
N-(2-methoxy-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119740560
N-[(3-methylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119709513
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119717745
N-(4-methoxy-2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119709473
N-[2-(tert-butylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119707297
1-piperidin-4-yl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 119671254

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide (CID 63283426) is N-(6-methyl-2-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide is Cc1cccc(NC(=O)c2cn(C3CCNCC3)nn2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is YXZBAQKDOKYYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-10-3-2-4-13(16-10)17-14(21)12-9-20(19-18-12)11-5-7-15-8-6-11/h2-4,9,11,15H,5-8H2,1H3,(H,16,17,21).
What are the key properties of N-(6-methyl-2-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide?
N-(6-methyl-2-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 63283426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).