5-bromo-2-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide

C15H14BrClN2O — CID 62000237

IUPAC5-bromo-2-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2cc(Br)cnc2Cl)cc1
InChIInChI=1S/C15H14BrClN2O/c1-10-3-5-11(6-4-10)9-19(2)15(20)13-7-12(16)8-18-14(13)17/h3-8H,9H2,1-2H3
InChIKeyWWGWRINZRKYXOY-UHFFFAOYSA-N
MW353.65 g/mol
LogP4.08
Rot. Bonds3

About 5-bromo-2-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide

5-bromo-2-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 62000237) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
PubChem CID62000237
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC Name5-bromo-2-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2cc(Br)cnc2Cl)cc1
InChIInChI=1S/C15H14BrClN2O/c1-10-3-5-11(6-4-10)9-19(2)15(20)13-7-12(16)8-18-14(13)17/h3-8H,9H2,1-2H3
InChIKeyWWGWRINZRKYXOY-UHFFFAOYSA-N
XLogP4.08
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 62000635
5-bromo-2-chloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-3-carboxamide
CID 63694504
5-bromo-2-chloro-N-(2-hydroxypropyl)-N-methylpyridine-3-carboxamide
CID 62334858
5-bromo-2-chloro-N-methyl-N-(2-methylprop-2-enyl)pyridine-3-carboxamide
CID 115968474
5-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
CID 79389658
5-bromo-2-chloro-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide
CID 62001227
N-benzyl-5-bromo-2-chloro-N-propan-2-ylpyridine-3-carboxamide
CID 62000992
2-chloro-N-methyl-N-[(4-methylphenyl)methyl]furan-3-carboxamide
CID 106685341
N-[(4-bromophenyl)methyl]-N,2,4-trimethylbenzamide
CID 60628421
5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
CID 80709337
2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 28799501
5-bromo-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 60630930

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide (CID 62000237) is 5-bromo-2-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide is Cc1ccc(CN(C)C(=O)c2cc(Br)cnc2Cl)cc1.
What is the InChIKey of 5-bromo-2-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is WWGWRINZRKYXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-10-3-5-11(6-4-10)9-19(2)15(20)13-7-12(16)8-18-14(13)17/h3-8H,9H2,1-2H3.
What are the key properties of 5-bromo-2-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
5-bromo-2-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 353.65 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 62000237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).