5-methyl-N-(1,6-naphthyridin-4-yl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride

C17H21Cl2N7O — CID 119888966

IUPAC5-methyl-N-(1,6-naphthyridin-4-yl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
SMILESCc1c(C(=O)Nc2ccnc3ccncc23)nnn1C1CCNCC1.Cl.Cl
InChIInChI=1S/C17H19N7O.2ClH/c1-11-16(22-23-24(11)12-2-6-18-7-3-12)17(25)21-15-5-9-20-14-4-8-19-10-13(14)15;;/h4-5,8-10,12,18H,2-3,6-7H2,1H3,(H,20,21,25);2*1H
InChIKeyVTKWQRGQRIYMTE-UHFFFAOYSA-N
MW410.31 g/mol
LogP2.55
Rot. Bonds3

About 5-methyl-N-(1,6-naphthyridin-4-yl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride

5-methyl-N-(1,6-naphthyridin-4-yl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride (PubChem CID 119888966) has the molecular formula C17H21Cl2N7O and a molecular weight of 410.31 g/mol. Its IUPAC name is 5-methyl-N-(1,6-naphthyridin-4-yl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name5-methyl-N-(1,6-naphthyridin-4-yl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
PubChem CID119888966
Molecular FormulaC17H21Cl2N7O
Molecular Weight410.31 g/mol
Exact Mass409.12
IUPAC Name5-methyl-N-(1,6-naphthyridin-4-yl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
SMILESCc1c(C(=O)Nc2ccnc3ccncc23)nnn1C1CCNCC1.Cl.Cl
InChIInChI=1S/C17H19N7O.2ClH/c1-11-16(22-23-24(11)12-2-6-18-7-3-12)17(25)21-15-5-9-20-14-4-8-19-10-13(14)15;;/h4-5,8-10,12,18H,2-3,6-7H2,1H3,(H,20,21,25);2*1H
InChIKeyVTKWQRGQRIYMTE-UHFFFAOYSA-N
XLogP2.55
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.31
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-N-(2-methyl-4-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119832832
N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670658
N-(2-ethoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119675634
5-methyl-1-piperidin-4-yl-N-(2-pyrazol-1-ylphenyl)triazole-4-carboxamide;hydrochloride
CID 119399997
5-methyl-N-(3-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670413
N-(3-methoxy-2,4-dimethylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119728769
5-methyl-1-piperidin-4-yl-N-(2,4,5-trifluorophenyl)triazole-4-carboxamide
CID 119708593
N-(5-bromo-2-methylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119705929
N-(2-acetamido-4-chlorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119760851
N-[5-chloro-2-(cyclopropylamino)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119856720
N-[4-(1H-imidazol-2-yl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 126766931
N-cyclopentyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119674072

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1,6-naphthyridin-4-yl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The IUPAC name of 5-methyl-N-(1,6-naphthyridin-4-yl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride (CID 119888966) is 5-methyl-N-(1,6-naphthyridin-4-yl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 5-methyl-N-(1,6-naphthyridin-4-yl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 5-methyl-N-(1,6-naphthyridin-4-yl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride is Cc1c(C(=O)Nc2ccnc3ccncc23)nnn1C1CCNCC1.Cl.Cl.
What is the InChIKey of 5-methyl-N-(1,6-naphthyridin-4-yl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The InChIKey is VTKWQRGQRIYMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O.2ClH/c1-11-16(22-23-24(11)12-2-6-18-7-3-12)17(25)21-15-5-9-20-14-4-8-19-10-13(14)15;;/h4-5,8-10,12,18H,2-3,6-7H2,1H3,(H,20,21,25);2*1H.
What are the key properties of 5-methyl-N-(1,6-naphthyridin-4-yl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
5-methyl-N-(1,6-naphthyridin-4-yl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride has a molecular weight of 410.31 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1,6-naphthyridin-4-yl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119888966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).