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

C12H13BrN2O — CID 103751770

IUPAC2-bromo-N,N-bis(prop-2-enyl)pyridine-3-carboxamide
SMILESC=CCN(CC=C)C(=O)c1cccnc1Br
InChIInChI=1S/C12H13BrN2O/c1-3-8-15(9-4-2)12(16)10-6-5-7-14-11(10)13/h3-7H,1-2,8-9H2
InChIKeyIDOAIZXJNNTMBD-UHFFFAOYSA-N
MW281.15 g/mol
LogP2.66
Rot. Bonds5

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

2-bromo-N,N-bis(prop-2-enyl)pyridine-3-carboxamide (PubChem CID 103751770) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 2-bromo-N,N-bis(prop-2-enyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N,N-bis(prop-2-enyl)pyridine-3-carboxamide
PubChem CID103751770
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name2-bromo-N,N-bis(prop-2-enyl)pyridine-3-carboxamide
SMILESC=CCN(CC=C)C(=O)c1cccnc1Br
InChIInChI=1S/C12H13BrN2O/c1-3-8-15(9-4-2)12(16)10-6-5-7-14-11(10)13/h3-7H,1-2,8-9H2
InChIKeyIDOAIZXJNNTMBD-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N,N-bis(prop-2-enyl)pyridine-2-carboxamide
CID 107517815
2-chloro-N-pent-4-enyl-N-prop-2-enylpyridine-3-carboxamide
CID 15439964
2-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridine-3-carboxamide
CID 103338613
2-bromo-N-ethyl-N-prop-2-ynylpyridine-3-carboxamide
CID 103754874
2-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide
CID 103752405
2,3-difluoro-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
CID 105380282
N-benzyl-2-bromo-N-methylpyridine-3-carboxamide
CID 103751706
2-bromo-N-butyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 88634155
2-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyridine-3-carboxamide
CID 103752570
2-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 113255190
2-bromo-N-propyl-N-prop-2-ynylpyridine-3-carboxamide
CID 103754870
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyridine-3-carboxamide
CID 60646068

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,N-bis(prop-2-enyl)pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N,N-bis(prop-2-enyl)pyridine-3-carboxamide (CID 103751770) is 2-bromo-N,N-bis(prop-2-enyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N,N-bis(prop-2-enyl)pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N,N-bis(prop-2-enyl)pyridine-3-carboxamide is C=CCN(CC=C)C(=O)c1cccnc1Br.
What is the InChIKey of 2-bromo-N,N-bis(prop-2-enyl)pyridine-3-carboxamide?
The InChIKey is IDOAIZXJNNTMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c1-3-8-15(9-4-2)12(16)10-6-5-7-14-11(10)13/h3-7H,1-2,8-9H2.
What are the key properties of 2-bromo-N,N-bis(prop-2-enyl)pyridine-3-carboxamide?
2-bromo-N,N-bis(prop-2-enyl)pyridine-3-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 2-bromo-N,N-bis(prop-2-enyl)pyridine-3-carboxamide is sourced from PubChem (CID 103751770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).