5-methyl-N-(2-methyl-4-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride

C15H22Cl2N6O — CID 119832832

IUPAC5-methyl-N-(2-methyl-4-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
SMILESCc1cc(NC(=O)c2nnn(C3CCNCC3)c2C)ccn1.Cl.Cl
InChIInChI=1S/C15H20N6O.2ClH/c1-10-9-12(3-8-17-10)18-15(22)14-11(2)21(20-19-14)13-4-6-16-7-5-13;;/h3,8-9,13,16H,4-7H2,1-2H3,(H,17,18,22);2*1H
InChIKeyFXAIHRCHZBIGKP-UHFFFAOYSA-N
MW373.29 g/mol
LogP2.31
Rot. Bonds3

About 5-methyl-N-(2-methyl-4-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride

5-methyl-N-(2-methyl-4-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride (PubChem CID 119832832) has the molecular formula C15H22Cl2N6O and a molecular weight of 373.29 g/mol. Its IUPAC name is 5-methyl-N-(2-methyl-4-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name5-methyl-N-(2-methyl-4-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
PubChem CID119832832
Molecular FormulaC15H22Cl2N6O
Molecular Weight373.29 g/mol
Exact Mass372.12
IUPAC Name5-methyl-N-(2-methyl-4-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
SMILESCc1cc(NC(=O)c2nnn(C3CCNCC3)c2C)ccn1.Cl.Cl
InChIInChI=1S/C15H20N6O.2ClH/c1-10-9-12(3-8-17-10)18-15(22)14-11(2)21(20-19-14)13-4-6-16-7-5-13;;/h3,8-9,13,16H,4-7H2,1-2H3,(H,17,18,22);2*1H
InChIKeyFXAIHRCHZBIGKP-UHFFFAOYSA-N
XLogP2.31
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-(3-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670413
N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670658
N-(3,5-difluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119696872
N-(3-bromophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119670376
N-(3-fluoro-4-methylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119674362
N-(3-acetylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119673298
5-methyl-N-(4-methyl-3-nitrophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670814
N-[3-(difluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119767728
N-[4-(1H-imidazol-2-yl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 126766931
N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119709833
5-methyl-N-(4-methylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119694248
N-(3-ethoxy-4-methoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119717648

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methyl-4-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The IUPAC name of 5-methyl-N-(2-methyl-4-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride (CID 119832832) is 5-methyl-N-(2-methyl-4-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 5-methyl-N-(2-methyl-4-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 5-methyl-N-(2-methyl-4-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride is Cc1cc(NC(=O)c2nnn(C3CCNCC3)c2C)ccn1.Cl.Cl.
What is the InChIKey of 5-methyl-N-(2-methyl-4-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The InChIKey is FXAIHRCHZBIGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O.2ClH/c1-10-9-12(3-8-17-10)18-15(22)14-11(2)21(20-19-14)13-4-6-16-7-5-13;;/h3,8-9,13,16H,4-7H2,1-2H3,(H,17,18,22);2*1H.
What are the key properties of 5-methyl-N-(2-methyl-4-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
5-methyl-N-(2-methyl-4-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride has a molecular weight of 373.29 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methyl-4-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119832832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).