3-bromo-N-(cyclohex-3-en-1-ylmethyl)pyridine-2-carboxamide

C13H15BrN2O — CID 107518869

IUPAC3-bromo-N-(cyclohex-3-en-1-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCC1CC=CCC1)c1ncccc1Br
InChIInChI=1S/C13H15BrN2O/c14-11-7-4-8-15-12(11)13(17)16-9-10-5-2-1-3-6-10/h1-2,4,7-8,10H,3,5-6,9H2,(H,16,17)
InChIKeyTWEQUMBHUKUUAB-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.93
Rot. Bonds3

About 3-bromo-N-(cyclohex-3-en-1-ylmethyl)pyridine-2-carboxamide

3-bromo-N-(cyclohex-3-en-1-ylmethyl)pyridine-2-carboxamide (PubChem CID 107518869) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 3-bromo-N-(cyclohex-3-en-1-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(cyclohex-3-en-1-ylmethyl)pyridine-2-carboxamide
PubChem CID107518869
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name3-bromo-N-(cyclohex-3-en-1-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCC1CC=CCC1)c1ncccc1Br
InChIInChI=1S/C13H15BrN2O/c14-11-7-4-8-15-12(11)13(17)16-9-10-5-2-1-3-6-10/h1-2,4,7-8,10H,3,5-6,9H2,(H,16,17)
InChIKeyTWEQUMBHUKUUAB-UHFFFAOYSA-N
XLogP2.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(cyclohex-3-en-1-ylmethyl)benzamide
CID 47436865
3-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide
CID 107520198
3-bromo-N-[(2-methylcyclopropyl)methyl]pyridine-2-carboxamide
CID 107519323
N-(cyclohex-3-en-1-ylmethyl)-2,3-difluoropyridine-4-carboxamide
CID 105381100
2,6-dibromo-N-(cyclohex-3-en-1-ylmethyl)aniline
CID 107597677
4-(bromomethyl)-N-(cyclohex-3-en-1-ylmethyl)benzamide
CID 102851555
N-(cyclopropylmethyl)-3-propan-2-ylpyridine-2-carboxamide
CID 170671139
3-amino-N-(cyclopropylmethyl)pyridine-2-carboxamide
CID 104740792
3-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-carboxamide
CID 107519431
3-bromo-N-(2-oxopropyl)pyridine-2-carboxamide
CID 107517564
N-(cyclohex-3-en-1-ylmethyl)-2,4-dihydroxybenzamide
CID 113227469
N-(cyclohex-3-en-1-ylmethyl)-2,2,2-trifluoroacetamide
CID 54046672

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(cyclohex-3-en-1-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(cyclohex-3-en-1-ylmethyl)pyridine-2-carboxamide (CID 107518869) is 3-bromo-N-(cyclohex-3-en-1-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(cyclohex-3-en-1-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(cyclohex-3-en-1-ylmethyl)pyridine-2-carboxamide is O=C(NCC1CC=CCC1)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-(cyclohex-3-en-1-ylmethyl)pyridine-2-carboxamide?
The InChIKey is TWEQUMBHUKUUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c14-11-7-4-8-15-12(11)13(17)16-9-10-5-2-1-3-6-10/h1-2,4,7-8,10H,3,5-6,9H2,(H,16,17).
What are the key properties of 3-bromo-N-(cyclohex-3-en-1-ylmethyl)pyridine-2-carboxamide?
3-bromo-N-(cyclohex-3-en-1-ylmethyl)pyridine-2-carboxamide has a molecular weight of 295.18 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(cyclohex-3-en-1-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 107518869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).