3-bromo-N,N-bis(prop-2-enyl)pyridine-2-carboxamide

C12H13BrN2O — CID 107517815

IUPAC3-bromo-N,N-bis(prop-2-enyl)pyridine-2-carboxamide
SMILESC=CCN(CC=C)C(=O)c1ncccc1Br
InChIInChI=1S/C12H13BrN2O/c1-3-8-15(9-4-2)12(16)11-10(13)6-5-7-14-11/h3-7H,1-2,8-9H2
InChIKeyLAXTZLKWKXGFHY-UHFFFAOYSA-N
MW281.15 g/mol
LogP2.66
Rot. Bonds5

About 3-bromo-N,N-bis(prop-2-enyl)pyridine-2-carboxamide

3-bromo-N,N-bis(prop-2-enyl)pyridine-2-carboxamide (PubChem CID 107517815) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 3-bromo-N,N-bis(prop-2-enyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N,N-bis(prop-2-enyl)pyridine-2-carboxamide
PubChem CID107517815
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name3-bromo-N,N-bis(prop-2-enyl)pyridine-2-carboxamide
SMILESC=CCN(CC=C)C(=O)c1ncccc1Br
InChIInChI=1S/C12H13BrN2O/c1-3-8-15(9-4-2)12(16)11-10(13)6-5-7-14-11/h3-7H,1-2,8-9H2
InChIKeyLAXTZLKWKXGFHY-UHFFFAOYSA-N
XLogP2.66
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 52.66
H-Bond Donors ≤ 50
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,N-bis(prop-2-enyl)pyridine-3-carboxamide
CID 103751770
3-bromo-N,N-bis(cyanomethyl)pyridine-2-carboxamide
CID 107517745
3-bromo-N,N-bis(2-methylpropyl)pyridine-2-carboxamide
CID 107518180
3-bromo-N-(2-bromoethyl)-N-ethylpyridine-2-carboxamide
CID 107526189
3-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 107518835
methyl 2-[(3-bromopyridine-2-carbonyl)-ethylamino]acetate
CID 107518830
3-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 107519162
2-bromo-6-fluoro-N,N-bis(prop-2-enyl)benzamide
CID 114559340
3-bromo-N-methyl-N-pentan-3-ylpyridine-2-carboxamide
CID 107517936
3-bromo-N-propan-2-yl-N-propylpyridine-2-carboxamide
CID 107517877
N-[(2-aminophenyl)methyl]-3-bromo-N-propylpyridine-2-carboxamide
CID 107516856
3-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 107518452

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,N-bis(prop-2-enyl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N,N-bis(prop-2-enyl)pyridine-2-carboxamide (CID 107517815) is 3-bromo-N,N-bis(prop-2-enyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N,N-bis(prop-2-enyl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N,N-bis(prop-2-enyl)pyridine-2-carboxamide is C=CCN(CC=C)C(=O)c1ncccc1Br.
What is the InChIKey of 3-bromo-N,N-bis(prop-2-enyl)pyridine-2-carboxamide?
The InChIKey is LAXTZLKWKXGFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c1-3-8-15(9-4-2)12(16)11-10(13)6-5-7-14-11/h3-7H,1-2,8-9H2.
What are the key properties of 3-bromo-N,N-bis(prop-2-enyl)pyridine-2-carboxamide?
3-bromo-N,N-bis(prop-2-enyl)pyridine-2-carboxamide has a molecular weight of 281.15 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,N-bis(prop-2-enyl)pyridine-2-carboxamide is sourced from PubChem (CID 107517815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).