N-(3-bromo-5-methylphenyl)-2-chloro-6-ethylpyridine-4-carboxamide

C15H14BrClN2O — CID 107582987

IUPACN-(3-bromo-5-methylphenyl)-2-chloro-6-ethylpyridine-4-carboxamide
SMILESCCc1cc(C(=O)Nc2cc(C)cc(Br)c2)cc(Cl)n1
InChIInChI=1S/C15H14BrClN2O/c1-3-12-6-10(7-14(17)18-12)15(20)19-13-5-9(2)4-11(16)8-13/h4-8H,3H2,1-2H3,(H,19,20)
InChIKeyYNFGPYMYLRGZMY-UHFFFAOYSA-N
MW353.65 g/mol
LogP4.62
Rot. Bonds3

About N-(3-bromo-5-methylphenyl)-2-chloro-6-ethylpyridine-4-carboxamide

N-(3-bromo-5-methylphenyl)-2-chloro-6-ethylpyridine-4-carboxamide (PubChem CID 107582987) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-2-chloro-6-ethylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-2-chloro-6-ethylpyridine-4-carboxamide
PubChem CID107582987
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC NameN-(3-bromo-5-methylphenyl)-2-chloro-6-ethylpyridine-4-carboxamide
SMILESCCc1cc(C(=O)Nc2cc(C)cc(Br)c2)cc(Cl)n1
InChIInChI=1S/C15H14BrClN2O/c1-3-12-6-10(7-14(17)18-12)15(20)19-13-5-9(2)4-11(16)8-13/h4-8H,3H2,1-2H3,(H,19,20)
InChIKeyYNFGPYMYLRGZMY-UHFFFAOYSA-N
XLogP4.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-ethylpyridine-4-carboxamide
CID 107573376
2-chloro-6-ethyl-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-4-carboxamide
CID 106954276
N-(3-bromo-5-methylphenyl)-2-(ethylamino)-6-methylpyridine-4-carboxamide
CID 107578610
N-[(1S)-1-(4-bromophenyl)ethyl]-2-chloro-6-ethylpyridine-4-carboxamide
CID 107869123
3-bromo-N-(3-fluoro-5-methylphenyl)-5-methylbenzamide
CID 113460801
3-bromo-N-(3-chloro-5-fluorophenyl)-5-methylbenzamide
CID 107366667
2-chloro-6-ethyl-N-(thiadiazol-5-yl)pyridine-4-carboxamide
CID 114912055
3-bromo-N-(3-bromo-5-methylphenyl)benzamide
CID 107583869
N-(3-bromo-5-methylphenyl)-3-chloro-4-methylbenzamide
CID 107583928
2-chloro-6-ethyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide
CID 114174171
2-chloro-N-(4,6-dimethyl-2-pyridinyl)-6-propylpyridine-4-carboxamide
CID 114932118
N-(3-bromo-5-methylphenyl)-3,5-dimethoxybenzamide
CID 110604740

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-2-chloro-6-ethylpyridine-4-carboxamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-2-chloro-6-ethylpyridine-4-carboxamide (CID 107582987) is N-(3-bromo-5-methylphenyl)-2-chloro-6-ethylpyridine-4-carboxamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-2-chloro-6-ethylpyridine-4-carboxamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-2-chloro-6-ethylpyridine-4-carboxamide is CCc1cc(C(=O)Nc2cc(C)cc(Br)c2)cc(Cl)n1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-2-chloro-6-ethylpyridine-4-carboxamide?
The InChIKey is YNFGPYMYLRGZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-3-12-6-10(7-14(17)18-12)15(20)19-13-5-9(2)4-11(16)8-13/h4-8H,3H2,1-2H3,(H,19,20).
What are the key properties of N-(3-bromo-5-methylphenyl)-2-chloro-6-ethylpyridine-4-carboxamide?
N-(3-bromo-5-methylphenyl)-2-chloro-6-ethylpyridine-4-carboxamide has a molecular weight of 353.65 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-2-chloro-6-ethylpyridine-4-carboxamide is sourced from PubChem (CID 107582987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).