2-[4-(4-benzyltriazol-1-yl)piperidin-1-yl]-6-methylpyridine-3-carboxamide

C21H24N6O — CID 46995940

IUPAC2-[4-(4-benzyltriazol-1-yl)piperidin-1-yl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(N)=O)c(N2CCC(n3cc(Cc4ccccc4)nn3)CC2)n1
InChIInChI=1S/C21H24N6O/c1-15-7-8-19(20(22)28)21(23-15)26-11-9-18(10-12-26)27-14-17(24-25-27)13-16-5-3-2-4-6-16/h2-8,14,18H,9-13H2,1H3,(H2,22,28)
InChIKeyLHPYLBYCPIQIRT-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.51
Rot. Bonds5

About 2-[4-(4-benzyltriazol-1-yl)piperidin-1-yl]-6-methylpyridine-3-carboxamide

2-[4-(4-benzyltriazol-1-yl)piperidin-1-yl]-6-methylpyridine-3-carboxamide (PubChem CID 46995940) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[4-(4-benzyltriazol-1-yl)piperidin-1-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(4-benzyltriazol-1-yl)piperidin-1-yl]-6-methylpyridine-3-carboxamide
PubChem CID46995940
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name2-[4-(4-benzyltriazol-1-yl)piperidin-1-yl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(N)=O)c(N2CCC(n3cc(Cc4ccccc4)nn3)CC2)n1
InChIInChI=1S/C21H24N6O/c1-15-7-8-19(20(22)28)21(23-15)26-11-9-18(10-12-26)27-14-17(24-25-27)13-16-5-3-2-4-6-16/h2-8,14,18H,9-13H2,1H3,(H2,22,28)
InChIKeyLHPYLBYCPIQIRT-UHFFFAOYSA-N
XLogP2.51
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(4-benzyltriazol-1-yl)piperidin-1-yl]-[(2R)-oxan-2-yl]methanone
CID 31054807
2-[4-(4-benzyltriazol-1-yl)piperidin-1-yl]pyrazine
CID 29103169
6-methyl-2-[4-(3-phenylpropanoyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide
CID 138378382
4-benzyl-1-(2,3-dihydro-1H-inden-2-yl)triazole
CID 68556485
6-methyl-2-[3-(methylamino)piperidin-1-yl]pyridine-3-carboxamide
CID 55086445
6-methyl-2-[(1R,2S,6R,9R)-6-phenyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxamide
CID 166617675
2-(4,4-dimethylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid
CID 62930201
1-[1-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]triazol-4-yl]propan-2-ol
CID 45199817
[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]triazol-4-yl]methylurea;2,2,2-trifluoroacetic acid
CID 154887494
2-amino-1-[4-[4-[[methyl-[(1S)-1-phenylethyl]amino]methyl]triazol-1-yl]piperidin-1-yl]ethanone
CID 31104467
3-[1-[1-(benzenesulfonyl)piperidin-4-yl]triazol-4-yl]propanoic acid
CID 46989749
2-(4-amino-2-methylpiperidin-1-yl)-6-methylpyridine-3-carboxamide
CID 113284707

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-benzyltriazol-1-yl)piperidin-1-yl]-6-methylpyridine-3-carboxamide?
The IUPAC name of 2-[4-(4-benzyltriazol-1-yl)piperidin-1-yl]-6-methylpyridine-3-carboxamide (CID 46995940) is 2-[4-(4-benzyltriazol-1-yl)piperidin-1-yl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(4-benzyltriazol-1-yl)piperidin-1-yl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 2-[4-(4-benzyltriazol-1-yl)piperidin-1-yl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(N)=O)c(N2CCC(n3cc(Cc4ccccc4)nn3)CC2)n1.
What is the InChIKey of 2-[4-(4-benzyltriazol-1-yl)piperidin-1-yl]-6-methylpyridine-3-carboxamide?
The InChIKey is LHPYLBYCPIQIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-15-7-8-19(20(22)28)21(23-15)26-11-9-18(10-12-26)27-14-17(24-25-27)13-16-5-3-2-4-6-16/h2-8,14,18H,9-13H2,1H3,(H2,22,28).
What are the key properties of 2-[4-(4-benzyltriazol-1-yl)piperidin-1-yl]-6-methylpyridine-3-carboxamide?
2-[4-(4-benzyltriazol-1-yl)piperidin-1-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-benzyltriazol-1-yl)piperidin-1-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 46995940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).