N-(4-bromo-3-methylphenyl)-3-methylpyridine-2-carboxamide

C14H13BrN2O — CID 62338956

IUPACN-(4-bromo-3-methylphenyl)-3-methylpyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2ncccc2C)ccc1Br
InChIInChI=1S/C14H13BrN2O/c1-9-4-3-7-16-13(9)14(18)17-11-5-6-12(15)10(2)8-11/h3-8H,1-2H3,(H,17,18)
InChIKeyFFNRSKMBZVGBCZ-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.71
Rot. Bonds2

About N-(4-bromo-3-methylphenyl)-3-methylpyridine-2-carboxamide

N-(4-bromo-3-methylphenyl)-3-methylpyridine-2-carboxamide (PubChem CID 62338956) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-3-methylpyridine-2-carboxamide
PubChem CID62338956
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC NameN-(4-bromo-3-methylphenyl)-3-methylpyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2ncccc2C)ccc1Br
InChIInChI=1S/C14H13BrN2O/c1-9-4-3-7-16-13(9)14(18)17-11-5-6-12(15)10(2)8-11/h3-8H,1-2H3,(H,17,18)
InChIKeyFFNRSKMBZVGBCZ-UHFFFAOYSA-N
XLogP3.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 107517768
3-methyl-N-(3-methyl-4-sulfamoylphenyl)pyridine-2-carboxamide
CID 62339318
N-(6-bromo-3-pyridinyl)-3-methylpyridine-2-carboxamide
CID 103789491
N-(4-bromo-3-methylphenyl)-2-fluoropyridine-3-carboxamide
CID 107358538
4-[(3-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid
CID 107517066
N-(4-iodophenyl)-3-methylpyridine-2-carboxamide
CID 62339482
N-(4-bromo-3-methylphenyl)-2-hydrazinylpyridine-3-carboxamide
CID 62236877
N-(2-bromo-5-fluorophenyl)-3-methylpyridine-2-carboxamide
CID 103753363
3-bromo-N-(3-methyl-4-sulfamoylphenyl)pyridine-2-carboxamide
CID 107519556
N-(3-chloro-4-sulfamoylphenyl)-3-methylpyridine-2-carboxamide
CID 62339142
N-(3-cyano-4-fluorophenyl)-3-methylpyridine-2-carboxamide
CID 62340831
N-(4-bromo-3-methylphenyl)pyrazine-2-carboxamide
CID 3273013

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-3-methylpyridine-2-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-3-methylpyridine-2-carboxamide (CID 62338956) is N-(4-bromo-3-methylphenyl)-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-3-methylpyridine-2-carboxamide is Cc1cc(NC(=O)c2ncccc2C)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-3-methylpyridine-2-carboxamide?
The InChIKey is FFNRSKMBZVGBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c1-9-4-3-7-16-13(9)14(18)17-11-5-6-12(15)10(2)8-11/h3-8H,1-2H3,(H,17,18).
What are the key properties of N-(4-bromo-3-methylphenyl)-3-methylpyridine-2-carboxamide?
N-(4-bromo-3-methylphenyl)-3-methylpyridine-2-carboxamide has a molecular weight of 305.18 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 62338956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).