5-bromo-N-(1-cyano-4-ethylcyclohexyl)pyridine-3-carboxamide

C15H18BrN3O — CID 61120747

IUPAC5-bromo-N-(1-cyano-4-ethylcyclohexyl)pyridine-3-carboxamide
SMILESCCC1CCC(C#N)(NC(=O)c2cncc(Br)c2)CC1
InChIInChI=1S/C15H18BrN3O/c1-2-11-3-5-15(10-17,6-4-11)19-14(20)12-7-13(16)9-18-8-12/h7-9,11H,2-6H2,1H3,(H,19,20)
InChIKeyJOKOUQFGFBAHQI-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.44
Rot. Bonds3

About 5-bromo-N-(1-cyano-4-ethylcyclohexyl)pyridine-3-carboxamide

5-bromo-N-(1-cyano-4-ethylcyclohexyl)pyridine-3-carboxamide (PubChem CID 61120747) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 5-bromo-N-(1-cyano-4-ethylcyclohexyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-cyano-4-ethylcyclohexyl)pyridine-3-carboxamide
PubChem CID61120747
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name5-bromo-N-(1-cyano-4-ethylcyclohexyl)pyridine-3-carboxamide
SMILESCCC1CCC(C#N)(NC(=O)c2cncc(Br)c2)CC1
InChIInChI=1S/C15H18BrN3O/c1-2-11-3-5-15(10-17,6-4-11)19-14(20)12-7-13(16)9-18-8-12/h7-9,11H,2-6H2,1H3,(H,19,20)
InChIKeyJOKOUQFGFBAHQI-UHFFFAOYSA-N
XLogP3.44
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(1-cyano-4-ethylcyclohexyl)-5-fluorobenzamide
CID 61120820
N-(1-cyano-4-ethylcyclohexyl)acetamide
CID 61120751
2,5-dichloro-N-(1-cyano-4-ethylcyclohexyl)thiophene-3-carboxamide
CID 107961621
N-(1-cyano-4-ethylcyclohexyl)-2,5-dimethylbenzamide
CID 61118969
5-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-3-carboxamide
CID 55081948
N-(1-cyano-4-ethylcyclohexyl)-4-ethylthiadiazole-5-carboxamide
CID 65205115
1-[[(5-bromo-3-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 113423565
N-(1-cyano-4-ethylcyclohexyl)-3-methoxypropanamide
CID 62589490
5-bromo-N-(1-cyano-4-methylcyclohexyl)thiophene-3-carboxamide
CID 114021227
N-(1-cyano-4-ethylcyclohexyl)cyclooctanecarboxamide
CID 65018223
1-(4-bromoanilino)-4-ethylcyclohexane-1-carbonitrile
CID 54886374
1-[[(5-bromo-3-pyridinyl)methylamino]methyl]-4-ethylcyclohexan-1-ol
CID 104796981

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-cyano-4-ethylcyclohexyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(1-cyano-4-ethylcyclohexyl)pyridine-3-carboxamide (CID 61120747) is 5-bromo-N-(1-cyano-4-ethylcyclohexyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-cyano-4-ethylcyclohexyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(1-cyano-4-ethylcyclohexyl)pyridine-3-carboxamide is CCC1CCC(C#N)(NC(=O)c2cncc(Br)c2)CC1.
What is the InChIKey of 5-bromo-N-(1-cyano-4-ethylcyclohexyl)pyridine-3-carboxamide?
The InChIKey is JOKOUQFGFBAHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-2-11-3-5-15(10-17,6-4-11)19-14(20)12-7-13(16)9-18-8-12/h7-9,11H,2-6H2,1H3,(H,19,20).
What are the key properties of 5-bromo-N-(1-cyano-4-ethylcyclohexyl)pyridine-3-carboxamide?
5-bromo-N-(1-cyano-4-ethylcyclohexyl)pyridine-3-carboxamide has a molecular weight of 336.23 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-cyano-4-ethylcyclohexyl)pyridine-3-carboxamide is sourced from PubChem (CID 61120747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).