6-bromo-N-(2,3-dimethylcyclohexyl)pyridine-3-carboxamide

C14H19BrN2O — CID 66463063

IUPAC6-bromo-N-(2,3-dimethylcyclohexyl)pyridine-3-carboxamide
SMILESCC1CCCC(NC(=O)c2ccc(Br)nc2)C1C
InChIInChI=1S/C14H19BrN2O/c1-9-4-3-5-12(10(9)2)17-14(18)11-6-7-13(15)16-8-11/h6-10,12H,3-5H2,1-2H3,(H,17,18)
InChIKeyIEXOOYWQDVMCIV-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.40
Rot. Bonds2

About 6-bromo-N-(2,3-dimethylcyclohexyl)pyridine-3-carboxamide

6-bromo-N-(2,3-dimethylcyclohexyl)pyridine-3-carboxamide (PubChem CID 66463063) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 6-bromo-N-(2,3-dimethylcyclohexyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2,3-dimethylcyclohexyl)pyridine-3-carboxamide
PubChem CID66463063
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name6-bromo-N-(2,3-dimethylcyclohexyl)pyridine-3-carboxamide
SMILESCC1CCCC(NC(=O)c2ccc(Br)nc2)C1C
InChIInChI=1S/C14H19BrN2O/c1-9-4-3-5-12(10(9)2)17-14(18)11-6-7-13(15)16-8-11/h6-10,12H,3-5H2,1-2H3,(H,17,18)
InChIKeyIEXOOYWQDVMCIV-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-acetyl-N-(2,3-dimethylcyclohexyl)benzamide
CID 126843777
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-iodobenzamide
CID 11919878
4-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride
CID 119676181
4-amino-N-(2,3-dimethylcyclohexyl)-3-methylbenzamide
CID 16785407
N-(2,3-dimethylcyclohexyl)-3,4-dihydroxybenzamide
CID 103955392
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-methoxybenzamide
CID 51665263
2-amino-N-(2,3-dimethylcyclohexyl)pyridine-4-carboxamide
CID 62156414
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-fluoropyridine-4-carboxamide
CID 90349621
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-fluoropyridine-4-carboxamide
CID 90349705
N-(2,3-dimethylcyclohexyl)-4-pyridin-2-ylbenzamide
CID 59673793
1-[(6-chloropyridine-3-carbonyl)amino]-3-[(1S,2R,3S)-2,3-dimethylcyclohexyl]thiourea
CID 11946208
N-(2,3-dimethylcyclohexyl)-4-nitrobenzamide
CID 3684866

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2,3-dimethylcyclohexyl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(2,3-dimethylcyclohexyl)pyridine-3-carboxamide (CID 66463063) is 6-bromo-N-(2,3-dimethylcyclohexyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(2,3-dimethylcyclohexyl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(2,3-dimethylcyclohexyl)pyridine-3-carboxamide is CC1CCCC(NC(=O)c2ccc(Br)nc2)C1C.
What is the InChIKey of 6-bromo-N-(2,3-dimethylcyclohexyl)pyridine-3-carboxamide?
The InChIKey is IEXOOYWQDVMCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-9-4-3-5-12(10(9)2)17-14(18)11-6-7-13(15)16-8-11/h6-10,12H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 6-bromo-N-(2,3-dimethylcyclohexyl)pyridine-3-carboxamide?
6-bromo-N-(2,3-dimethylcyclohexyl)pyridine-3-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 6-bromo-N-(2,3-dimethylcyclohexyl)pyridine-3-carboxamide is sourced from PubChem (CID 66463063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).