N-cycloheptyl-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide

C15H19N5O — CID 91952761

IUPACN-cycloheptyl-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc(-n2cnnc2)nc1
InChIInChI=1S/C15H19N5O/c21-15(19-13-5-3-1-2-4-6-13)12-7-8-14(16-9-12)20-10-17-18-11-20/h7-11,13H,1-6H2,(H,19,21)
InChIKeyLCPPXOAKWPUEAG-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.11
Rot. Bonds3

About N-cycloheptyl-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide

N-cycloheptyl-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide (PubChem CID 91952761) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-cycloheptyl-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
PubChem CID91952761
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-cycloheptyl-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc(-n2cnnc2)nc1
InChIInChI=1S/C15H19N5O/c21-15(19-13-5-3-1-2-4-6-13)12-7-8-14(16-9-12)20-10-17-18-11-20/h7-11,13H,1-6H2,(H,19,21)
InChIKeyLCPPXOAKWPUEAG-UHFFFAOYSA-N
XLogP2.11
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-6-pyrazol-1-ylpyridine-3-carboxamide
CID 16654230
2-N,5-N-dicyclohexylpyridine-2,5-dicarboxamide
CID 5195107
3-bromo-N-cycloheptyl-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 22587057
N-cyclohexylpyridazine-4-carboxamide
CID 112701044
5-(cyclooctylcarbamoyl)pyridine-2-carboxylic acid
CID 43414727
6-(cyclohexylamino)-N-cyclopropylpyridine-3-carboxamide
CID 25473351
N-cyclooctyl-6-hydrazinylpyridine-3-carboxamide
CID 62237790
N-piperidin-4-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119386740
N-phenyl-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 16764606
N-cyclooctyl-6-(dimethylamino)pyridine-3-carboxamide
CID 39400603
N-cycloheptyl-6-(dimethylamino)pyridine-3-carboxamide
CID 39400820
6-tert-butyl-N-cyclohexylpyridine-3-carboxamide
CID 20709646

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of N-cycloheptyl-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide (CID 91952761) is N-cycloheptyl-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide is O=C(NC1CCCCCC1)c1ccc(-n2cnnc2)nc1.
What is the InChIKey of N-cycloheptyl-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide?
The InChIKey is LCPPXOAKWPUEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c21-15(19-13-5-3-1-2-4-6-13)12-7-8-14(16-9-12)20-10-17-18-11-20/h7-11,13H,1-6H2,(H,19,21).
What are the key properties of N-cycloheptyl-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide?
N-cycloheptyl-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 91952761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).