5-bromo-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide

C14H19BrN2O — CID 64743706

IUPAC5-bromo-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide
SMILESCC1CCC(NC(=O)c2ccc(Br)cn2)CC1C
InChIInChI=1S/C14H19BrN2O/c1-9-3-5-12(7-10(9)2)17-14(18)13-6-4-11(15)8-16-13/h4,6,8-10,12H,3,5,7H2,1-2H3,(H,17,18)
InChIKeyRJNRLOOVZNTFSK-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.40
Rot. Bonds2

About 5-bromo-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide

5-bromo-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide (PubChem CID 64743706) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 5-bromo-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide
PubChem CID64743706
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name5-bromo-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide
SMILESCC1CCC(NC(=O)c2ccc(Br)cn2)CC1C
InChIInChI=1S/C14H19BrN2O/c1-9-3-5-12(7-10(9)2)17-14(18)13-6-4-11(15)8-16-13/h4,6,8-10,12H,3,5,7H2,1-2H3,(H,17,18)
InChIKeyRJNRLOOVZNTFSK-UHFFFAOYSA-N
XLogP3.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide (CID 64743706) is 5-bromo-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide is CC1CCC(NC(=O)c2ccc(Br)cn2)CC1C.
What is the InChIKey of 5-bromo-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide?
The InChIKey is RJNRLOOVZNTFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-9-3-5-12(7-10(9)2)17-14(18)13-6-4-11(15)8-16-13/h4,6,8-10,12H,3,5,7H2,1-2H3,(H,17,18).
What are the key properties of 5-bromo-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide?
5-bromo-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide has a molecular weight of 311.22 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide is sourced from PubChem (CID 64743706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).