N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]piperidine-3-carboxamide

C17H19N7O — CID 138586977

IUPACN-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]piperidine-3-carboxamide
SMILESCn1cc(-c2ccc3nnc(NC(=O)C4CCCNC4)cc3c2)nn1
InChIInChI=1S/C17H19N7O/c1-24-10-15(21-23-24)11-4-5-14-13(7-11)8-16(22-20-14)19-17(25)12-3-2-6-18-9-12/h4-5,7-8,10,12,18H,2-3,6,9H2,1H3,(H,19,22,25)
InChIKeyIJCQSJYKFFZVQE-UHFFFAOYSA-N
MW337.39 g/mol
LogP1.36
Rot. Bonds3

About N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]piperidine-3-carboxamide

N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]piperidine-3-carboxamide (PubChem CID 138586977) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]piperidine-3-carboxamide
PubChem CID138586977
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC NameN-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]piperidine-3-carboxamide
SMILESCn1cc(-c2ccc3nnc(NC(=O)C4CCCNC4)cc3c2)nn1
InChIInChI=1S/C17H19N7O/c1-24-10-15(21-23-24)11-4-5-14-13(7-11)8-16(22-20-14)19-17(25)12-3-2-6-18-9-12/h4-5,7-8,10,12,18H,2-3,6,9H2,1H3,(H,19,22,25)
InChIKeyIJCQSJYKFFZVQE-UHFFFAOYSA-N
XLogP1.36
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-3-carboxamide
CID 138588985
2-fluoro-2-methyl-N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]propanamide
CID 138589575
4-[[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 138591121
4-amino-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]cyclohexane-1-carboxamide
CID 138590409
2-methyl-N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 138588919
(3R)-N-[4-(3-methylbenzimidazol-5-yl)-2-pyridinyl]piperidine-3-carboxamide
CID 90412986
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 138588367
1-butyl-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-4-carboxamide
CID 138586873
1-methyl-N-[6-(1,2-thiazol-4-yl)cinnolin-3-yl]piperidine-4-carboxamide
CID 138588116
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide
CID 138591284
N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 43185838
(3R)-N-(1,3-dimethylpyrazol-4-yl)piperidine-3-carboxamide
CID 102805576

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]piperidine-3-carboxamide?
The IUPAC name of N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]piperidine-3-carboxamide (CID 138586977) is N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]piperidine-3-carboxamide?
The canonical SMILES for N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]piperidine-3-carboxamide is Cn1cc(-c2ccc3nnc(NC(=O)C4CCCNC4)cc3c2)nn1.
What is the InChIKey of N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]piperidine-3-carboxamide?
The InChIKey is IJCQSJYKFFZVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O/c1-24-10-15(21-23-24)11-4-5-14-13(7-11)8-16(22-20-14)19-17(25)12-3-2-6-18-9-12/h4-5,7-8,10,12,18H,2-3,6,9H2,1H3,(H,19,22,25).
What are the key properties of N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]piperidine-3-carboxamide?
N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]piperidine-3-carboxamide has a molecular weight of 337.39 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 138586977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).