2-bromo-N-methyl-N-prop-2-enylpyridine-4-carboxamide

C10H11BrN2O — CID 104952950

IUPAC2-bromo-N-methyl-N-prop-2-enylpyridine-4-carboxamide
SMILESC=CCN(C)C(=O)c1ccnc(Br)c1
InChIInChI=1S/C10H11BrN2O/c1-3-6-13(2)10(14)8-4-5-12-9(11)7-8/h3-5,7H,1,6H2,2H3
InChIKeyVNQDQLCRXRUQCA-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.10
Rot. Bonds3

About 2-bromo-N-methyl-N-prop-2-enylpyridine-4-carboxamide

2-bromo-N-methyl-N-prop-2-enylpyridine-4-carboxamide (PubChem CID 104952950) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-prop-2-enylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-methyl-N-prop-2-enylpyridine-4-carboxamide
PubChem CID104952950
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name2-bromo-N-methyl-N-prop-2-enylpyridine-4-carboxamide
SMILESC=CCN(C)C(=O)c1ccnc(Br)c1
InChIInChI=1S/C10H11BrN2O/c1-3-6-13(2)10(14)8-4-5-12-9(11)7-8/h3-5,7H,1,6H2,2H3
InChIKeyVNQDQLCRXRUQCA-UHFFFAOYSA-N
XLogP2.10
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.10
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'}

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Related Compounds

2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-N-methylpyridine-4-carboxamide
CID 103752068
2-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide
CID 103753880
2-bromo-N-methyl-N-[2-(methylamino)ethyl]pyridine-4-carboxamide
CID 103885127
2-bromo-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 113255509
2-bromo-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 103753955
2-bromo-N-methyl-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 103751913
2-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 103801002
N-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-4-carboxamide
CID 103752363
N-methyl-N-prop-2-enyl-3-sulfanylbenzamide
CID 107033477
2-bromo-N-cyclopropyl-N-methylpyridine-4-carboxamide
CID 103752625
2-methoxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
CID 84580497
2-bromo-N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methylpyridine-4-carboxamide
CID 166404983

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-prop-2-enylpyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-methyl-N-prop-2-enylpyridine-4-carboxamide (CID 104952950) is 2-bromo-N-methyl-N-prop-2-enylpyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-methyl-N-prop-2-enylpyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-methyl-N-prop-2-enylpyridine-4-carboxamide is C=CCN(C)C(=O)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-methyl-N-prop-2-enylpyridine-4-carboxamide?
The InChIKey is VNQDQLCRXRUQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-3-6-13(2)10(14)8-4-5-12-9(11)7-8/h3-5,7H,1,6H2,2H3.
What are the key properties of 2-bromo-N-methyl-N-prop-2-enylpyridine-4-carboxamide?
2-bromo-N-methyl-N-prop-2-enylpyridine-4-carboxamide has a molecular weight of 255.11 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-prop-2-enylpyridine-4-carboxamide is sourced from PubChem (CID 104952950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).