6-(3-bromophenyl)-N-methoxy-2-methylpyridine-3-carboxamide

C14H13BrN2O2 — CID 30796992

IUPAC6-(3-bromophenyl)-N-methoxy-2-methylpyridine-3-carboxamide
SMILESCONC(=O)c1ccc(-c2cccc(Br)c2)nc1C
InChIInChI=1S/C14H13BrN2O2/c1-9-12(14(18)17-19-2)6-7-13(16-9)10-4-3-5-11(15)8-10/h3-8H,1-2H3,(H,17,18)
InChIKeyYOUUSUZYZFZXBV-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.11
Rot. Bonds3

About 6-(3-bromophenyl)-N-methoxy-2-methylpyridine-3-carboxamide

6-(3-bromophenyl)-N-methoxy-2-methylpyridine-3-carboxamide (PubChem CID 30796992) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 6-(3-bromophenyl)-N-methoxy-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-bromophenyl)-N-methoxy-2-methylpyridine-3-carboxamide
PubChem CID30796992
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name6-(3-bromophenyl)-N-methoxy-2-methylpyridine-3-carboxamide
SMILESCONC(=O)c1ccc(-c2cccc(Br)c2)nc1C
InChIInChI=1S/C14H13BrN2O2/c1-9-12(14(18)17-19-2)6-7-13(16-9)10-4-3-5-11(15)8-10/h3-8H,1-2H3,(H,17,18)
InChIKeyYOUUSUZYZFZXBV-UHFFFAOYSA-N
XLogP3.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(3-bromophenyl)-2-methylpyridine-3-carboxylic acid
CID 7131628
6-(3-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-2-methylpyridine-3-carboxamide
CID 27286760
6-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)-2-methylpyridine-3-carboxamide
CID 110887368
6-(3-bromophenyl)-N-(2,5-dimethoxyphenyl)-2-methylpyridine-3-carboxamide
CID 27285916
6-(3-bromophenyl)-N-[2-(dimethylamino)-3-methylbutyl]-2-methylpyridine-3-carboxamide
CID 43066460
6-(3-bromophenyl)-N-(2,5-difluorophenyl)-2-methylpyridine-3-carboxamide
CID 27005490
6-(3-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpyridine-3-carboxamide
CID 27017500
methyl 6-(3-bromophenyl)-2-ethylpyridine-3-carboxylate
CID 134280333
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide
CID 55726267
6-(3-bromophenyl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylpyridine-3-carboxamide
CID 86847145
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 6-(3-bromophenyl)-2-methylpyridine-3-carboxylate
CID 17485995
N-(1H-benzimidazol-2-yl)-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide
CID 27649715

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)-N-methoxy-2-methylpyridine-3-carboxamide?
The IUPAC name of 6-(3-bromophenyl)-N-methoxy-2-methylpyridine-3-carboxamide (CID 30796992) is 6-(3-bromophenyl)-N-methoxy-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-(3-bromophenyl)-N-methoxy-2-methylpyridine-3-carboxamide?
The canonical SMILES for 6-(3-bromophenyl)-N-methoxy-2-methylpyridine-3-carboxamide is CONC(=O)c1ccc(-c2cccc(Br)c2)nc1C.
What is the InChIKey of 6-(3-bromophenyl)-N-methoxy-2-methylpyridine-3-carboxamide?
The InChIKey is YOUUSUZYZFZXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-9-12(14(18)17-19-2)6-7-13(16-9)10-4-3-5-11(15)8-10/h3-8H,1-2H3,(H,17,18).
What are the key properties of 6-(3-bromophenyl)-N-methoxy-2-methylpyridine-3-carboxamide?
6-(3-bromophenyl)-N-methoxy-2-methylpyridine-3-carboxamide has a molecular weight of 321.17 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)-N-methoxy-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 30796992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).