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

C15H18BrN5O — CID 22587057

IUPAC3-bromo-N-cycloheptyl-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1nc(-n2cnnc2)ccc1Br
InChIInChI=1S/C15H18BrN5O/c16-12-7-8-13(21-9-17-18-10-21)20-14(12)15(22)19-11-5-3-1-2-4-6-11/h7-11H,1-6H2,(H,19,22)
InChIKeyKTZLHIWKCWMJAA-UHFFFAOYSA-N
MW364.25 g/mol
LogP2.88
Rot. Bonds3

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

3-bromo-N-cycloheptyl-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide (PubChem CID 22587057) has the molecular formula C15H18BrN5O and a molecular weight of 364.25 g/mol. Its IUPAC name is 3-bromo-N-cycloheptyl-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-cycloheptyl-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
PubChem CID22587057
Molecular FormulaC15H18BrN5O
Molecular Weight364.25 g/mol
Exact Mass363.07
IUPAC Name3-bromo-N-cycloheptyl-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1nc(-n2cnnc2)ccc1Br
InChIInChI=1S/C15H18BrN5O/c16-12-7-8-13(21-9-17-18-10-21)20-14(12)15(22)19-11-5-3-1-2-4-6-11/h7-11H,1-6H2,(H,19,22)
InChIKeyKTZLHIWKCWMJAA-UHFFFAOYSA-N
XLogP2.88
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.25
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 91952761
3-bromo-N-(2-hydroxy-5-propan-2-ylphenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 22587053
4-chloro-N-cyclopentyl-1-methylpyrazole-3-carboxamide
CID 891856
2-chloro-N-cycloheptyl-4-(1,2,4-triazol-4-yl)benzamide
CID 6458239
4-bromo-N-cycloheptyl-1,5-dimethylpyrazole-3-carboxamide
CID 19266124
2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319
4-bromo-N-cycloheptylbenzamide
CID 2843132
4-bromo-N-cyclooctylbenzamide
CID 902872
4-bromo-3-chloro-N-cyclohexylbenzamide
CID 81295345
N-cyclohexyl-2-cyclohexylsulfanyl-6-pyrrol-1-ylpyridine-3-carboxamide
CID 141207981
2-N-cycloheptyl-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093881
3-bromo-N-[(3R)-piperidin-3-yl]pyridine-2-carboxamide
CID 107520277

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cycloheptyl-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-cycloheptyl-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide (CID 22587057) is 3-bromo-N-cycloheptyl-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-cycloheptyl-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-cycloheptyl-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide is O=C(NC1CCCCCC1)c1nc(-n2cnnc2)ccc1Br.
What is the InChIKey of 3-bromo-N-cycloheptyl-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
The InChIKey is KTZLHIWKCWMJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN5O/c16-12-7-8-13(21-9-17-18-10-21)20-14(12)15(22)19-11-5-3-1-2-4-6-11/h7-11H,1-6H2,(H,19,22).
What are the key properties of 3-bromo-N-cycloheptyl-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
3-bromo-N-cycloheptyl-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide has a molecular weight of 364.25 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cycloheptyl-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 22587057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).