N-(1-benzyl-2-oxo-3-pyridinyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C21H25ClN6O2 — CID 119811005

IUPACN-(1-benzyl-2-oxo-3-pyridinyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)Nc2cccn(Cc3ccccc3)c2=O)nnn1C1CCNCC1.Cl
InChIInChI=1S/C21H24N6O2.ClH/c1-15-19(24-25-27(15)17-9-11-22-12-10-17)20(28)23-18-8-5-13-26(21(18)29)14-16-6-3-2-4-7-16;/h2-8,13,17,22H,9-12,14H2,1H3,(H,23,28);1H
InChIKeyFWBSESGARKNSTC-UHFFFAOYSA-N
MW428.92 g/mol
LogP2.40
Rot. Bonds5

About N-(1-benzyl-2-oxo-3-pyridinyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-(1-benzyl-2-oxo-3-pyridinyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119811005) has the molecular formula C21H25ClN6O2 and a molecular weight of 428.92 g/mol. Its IUPAC name is N-(1-benzyl-2-oxo-3-pyridinyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-benzyl-2-oxo-3-pyridinyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119811005
Molecular FormulaC21H25ClN6O2
Molecular Weight428.92 g/mol
Exact Mass428.17
IUPAC NameN-(1-benzyl-2-oxo-3-pyridinyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)Nc2cccn(Cc3ccccc3)c2=O)nnn1C1CCNCC1.Cl
InChIInChI=1S/C21H24N6O2.ClH/c1-15-19(24-25-27(15)17-9-11-22-12-10-17)20(28)23-18-8-5-13-26(21(18)29)14-16-6-3-2-4-7-16;/h2-8,13,17,22H,9-12,14H2,1H3,(H,23,28);1H
InChIKeyFWBSESGARKNSTC-UHFFFAOYSA-N
XLogP2.40
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 119399997
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5-methyl-1-piperidin-4-yl-N-[2-(3,3,3-trifluoropropyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119819418
N-[2-(2,2-difluoroethoxy)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119814462
N-(1-benzylpiperidin-3-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119855950
5-methyl-N-(5-methyl-2-phenoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119808194
5-methyl-N-[2-(2-phenylethyl)pyrazol-3-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119710914
N-(2-acetamido-4-chlorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119760851
N-(2,2-diphenylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119688023
N-(3-chloro-2-propan-2-ylsulfanylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119707327
5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119680433
N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-oxo-3-pyridinyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(1-benzyl-2-oxo-3-pyridinyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119811005) is N-(1-benzyl-2-oxo-3-pyridinyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-benzyl-2-oxo-3-pyridinyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(1-benzyl-2-oxo-3-pyridinyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1c(C(=O)Nc2cccn(Cc3ccccc3)c2=O)nnn1C1CCNCC1.Cl.
What is the InChIKey of N-(1-benzyl-2-oxo-3-pyridinyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is FWBSESGARKNSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2.ClH/c1-15-19(24-25-27(15)17-9-11-22-12-10-17)20(28)23-18-8-5-13-26(21(18)29)14-16-6-3-2-4-7-16;/h2-8,13,17,22H,9-12,14H2,1H3,(H,23,28);1H.
What are the key properties of N-(1-benzyl-2-oxo-3-pyridinyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-(1-benzyl-2-oxo-3-pyridinyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 428.92 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-oxo-3-pyridinyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119811005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).