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

C14H13BrN2O — CID 106753102

IUPACN-(2-bromo-3-methylphenyl)-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C)c2Br)ccn1
InChIInChI=1S/C14H13BrN2O/c1-9-4-3-5-12(13(9)15)17-14(18)11-6-7-16-10(2)8-11/h3-8H,1-2H3,(H,17,18)
InChIKeyFMQWYCGSIWYREZ-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.71
Rot. Bonds2

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

N-(2-bromo-3-methylphenyl)-2-methylpyridine-4-carboxamide (PubChem CID 106753102) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is N-(2-bromo-3-methylphenyl)-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-methylphenyl)-2-methylpyridine-4-carboxamide
PubChem CID106753102
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC NameN-(2-bromo-3-methylphenyl)-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C)c2Br)ccn1
InChIInChI=1S/C14H13BrN2O/c1-9-4-3-5-12(13(9)15)17-14(18)11-6-7-16-10(2)8-11/h3-8H,1-2H3,(H,17,18)
InChIKeyFMQWYCGSIWYREZ-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

N-(2-bromo-3-methylphenyl)-2-chloro-6-methylpyridine-4-carboxamide
CID 113378489
N-(2-bromo-3-methylphenyl)-5-methylfuran-3-carboxamide
CID 114820906
N-(2-bromo-5-chloro-3-pyridinyl)-2-methylpyridine-4-carboxamide
CID 112750056
2-bromo-N-(2-bromo-3-methylphenyl)pyridine-3-carboxamide
CID 104870910
N-(2-bromo-3-methylphenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104670586
4-amino-N-(2-bromo-3-methylphenyl)-3,5-dichlorobenzamide
CID 82833101
2-methyl-N-(1-oxo-2H-isoquinolin-5-yl)pyridine-4-carboxamide
CID 167952573
2-(methylamino)-N-(2-methylphenyl)pyridine-4-carboxamide
CID 55042330
N-(2,3-dimethylphenyl)-2-methoxypyridine-4-carboxamide
CID 110857659
N-(2-amino-4-bromo-6-methylphenyl)-2-methylpyridine-4-carboxamide
CID 106752400
2-(3-bromoanilino)-N-(2-methylphenyl)pyridine-4-carboxamide
CID 109176186
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyridine-4-carboxamide
CID 106753843

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-methylphenyl)-2-methylpyridine-4-carboxamide?
The IUPAC name of N-(2-bromo-3-methylphenyl)-2-methylpyridine-4-carboxamide (CID 106753102) is N-(2-bromo-3-methylphenyl)-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-3-methylphenyl)-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-(2-bromo-3-methylphenyl)-2-methylpyridine-4-carboxamide is Cc1cc(C(=O)Nc2cccc(C)c2Br)ccn1.
What is the InChIKey of N-(2-bromo-3-methylphenyl)-2-methylpyridine-4-carboxamide?
The InChIKey is FMQWYCGSIWYREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c1-9-4-3-5-12(13(9)15)17-14(18)11-6-7-16-10(2)8-11/h3-8H,1-2H3,(H,17,18).
What are the key properties of N-(2-bromo-3-methylphenyl)-2-methylpyridine-4-carboxamide?
N-(2-bromo-3-methylphenyl)-2-methylpyridine-4-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-(2-bromo-3-methylphenyl)-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 106753102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).