6-bromo-N-(3-methoxy-2,4-dimethylphenyl)pyridine-3-carboxamide

C15H15BrN2O2 — CID 66462513

IUPAC6-bromo-N-(3-methoxy-2,4-dimethylphenyl)pyridine-3-carboxamide
SMILESCOc1c(C)ccc(NC(=O)c2ccc(Br)nc2)c1C
InChIInChI=1S/C15H15BrN2O2/c1-9-4-6-12(10(2)14(9)20-3)18-15(19)11-5-7-13(16)17-8-11/h4-8H,1-3H3,(H,18,19)
InChIKeyVYZOFNFRTPLOSZ-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.72
Rot. Bonds3

About 6-bromo-N-(3-methoxy-2,4-dimethylphenyl)pyridine-3-carboxamide

6-bromo-N-(3-methoxy-2,4-dimethylphenyl)pyridine-3-carboxamide (PubChem CID 66462513) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 6-bromo-N-(3-methoxy-2,4-dimethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(3-methoxy-2,4-dimethylphenyl)pyridine-3-carboxamide
PubChem CID66462513
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name6-bromo-N-(3-methoxy-2,4-dimethylphenyl)pyridine-3-carboxamide
SMILESCOc1c(C)ccc(NC(=O)c2ccc(Br)nc2)c1C
InChIInChI=1S/C15H15BrN2O2/c1-9-4-6-12(10(2)14(9)20-3)18-15(19)11-5-7-13(16)17-8-11/h4-8H,1-3H3,(H,18,19)
InChIKeyVYZOFNFRTPLOSZ-UHFFFAOYSA-N
XLogP3.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(3-methoxy-2,4-dimethylphenyl)benzamide
CID 43697374
5-hydroxy-N-(3-methoxy-2,4-dimethylphenyl)pyridine-3-carboxamide
CID 63860127
5-chloro-N-(3-methoxy-2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 107246554
5-iodo-N-(3-methoxy-2,4-dimethylphenyl)thiophene-3-carboxamide
CID 78949082
6-bromo-N-(6-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 113263005
2-(aminomethyl)-N-(3-methoxy-2,4-dimethylphenyl)pyridine-4-carboxamide
CID 114325733
6-bromo-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide
CID 66464924
methyl 2-[(6-bromopyridine-3-carbonyl)amino]-5-chlorobenzoate
CID 66462125
4-chloro-N-(3-methoxy-2,4-dimethylphenyl)pyridine-3-carboxamide
CID 81227385
6-bromo-N-(2,6-dichloro-3-methylphenyl)pyridine-3-carboxamide
CID 66462872
6-bromo-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 66462281
6-bromo-N-(4,5-dimethyl-2-nitrophenyl)pyridine-3-carboxamide
CID 66465119

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-methoxy-2,4-dimethylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(3-methoxy-2,4-dimethylphenyl)pyridine-3-carboxamide (CID 66462513) is 6-bromo-N-(3-methoxy-2,4-dimethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(3-methoxy-2,4-dimethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(3-methoxy-2,4-dimethylphenyl)pyridine-3-carboxamide is COc1c(C)ccc(NC(=O)c2ccc(Br)nc2)c1C.
What is the InChIKey of 6-bromo-N-(3-methoxy-2,4-dimethylphenyl)pyridine-3-carboxamide?
The InChIKey is VYZOFNFRTPLOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-9-4-6-12(10(2)14(9)20-3)18-15(19)11-5-7-13(16)17-8-11/h4-8H,1-3H3,(H,18,19).
What are the key properties of 6-bromo-N-(3-methoxy-2,4-dimethylphenyl)pyridine-3-carboxamide?
6-bromo-N-(3-methoxy-2,4-dimethylphenyl)pyridine-3-carboxamide has a molecular weight of 335.20 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-methoxy-2,4-dimethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 66462513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).