2-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide

C14H17BrN2O — CID 103751992

IUPAC2-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1cccnc1Br
InChIInChI=1S/C14H17BrN2O/c15-13-12(7-4-9-16-13)14(18)17-10-8-11-5-2-1-3-6-11/h4-5,7,9H,1-3,6,8,10H2,(H,17,18)
InChIKeyAIRVQNZVJWHYPN-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.46
Rot. Bonds4

About 2-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide

2-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide (PubChem CID 103751992) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 2-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide
PubChem CID103751992
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name2-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1cccnc1Br
InChIInChI=1S/C14H17BrN2O/c15-13-12(7-4-9-16-13)14(18)17-10-8-11-5-2-1-3-6-11/h4-5,7,9H,1-3,6,8,10H2,(H,17,18)
InChIKeyAIRVQNZVJWHYPN-UHFFFAOYSA-N
XLogP3.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-3-hydroxypyridine-2-carboxamide
CID 113229799
N-[2-(cyclohexen-1-yl)ethyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
CID 71881401
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835623
N-[2-(cyclohexen-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377844
N-[2-(cyclohexen-1-yl)ethyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 110704348
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylpyridine-3-carboxamide
CID 5151631
3-bromo-N-[2-(cyclopenten-1-yl)ethyl]-2-methylbenzamide
CID 113330021
N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110755256
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbenzamide
CID 60682672
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109052433
N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 62046502
2-bromo-3-cyano-N-[2-(cyclopenten-1-yl)ethyl]benzamide
CID 126454615

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide (CID 103751992) is 2-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide is O=C(NCCC1=CCCCC1)c1cccnc1Br.
What is the InChIKey of 2-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is AIRVQNZVJWHYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c15-13-12(7-4-9-16-13)14(18)17-10-8-11-5-2-1-3-6-11/h4-5,7,9H,1-3,6,8,10H2,(H,17,18).
What are the key properties of 2-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide?
2-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 309.21 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 103751992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).