6-bromo-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide

C14H13BrN2O2 — CID 66463737

IUPAC6-bromo-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2ccc(Br)nc2)cc1
InChIInChI=1S/C14H13BrN2O2/c1-17(11-4-6-12(19-2)7-5-11)14(18)10-3-8-13(15)16-9-10/h3-9H,1-2H3
InChIKeyRZHACYHRYUQJNH-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.13
Rot. Bonds3

About 6-bromo-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide

6-bromo-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide (PubChem CID 66463737) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 6-bromo-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide
PubChem CID66463737
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name6-bromo-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2ccc(Br)nc2)cc1
InChIInChI=1S/C14H13BrN2O2/c1-17(11-4-6-12(19-2)7-5-11)14(18)10-3-8-13(15)16-9-10/h3-9H,1-2H3
InChIKeyRZHACYHRYUQJNH-UHFFFAOYSA-N
XLogP3.13
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-(4-cyanophenyl)-N-methylpyridine-3-carboxamide
CID 66463352
3-bromo-4-methoxy-N-(4-methoxyphenyl)-N-methylbenzamide
CID 62001887
3-bromo-4-fluoro-N-(4-methoxyphenyl)-N-methylbenzamide
CID 107952297
N-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 62003471
6-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 66462090
N-(4-methoxyphenyl)-N,2-dimethyl-1H-imidazole-5-carboxamide
CID 110467542
N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxy-N-methylbenzamide
CID 70967812
methyl 3-[(6-bromopyridine-3-carbonyl)-methylamino]-2-methylpropanoate
CID 66463709
6-methoxy-N-methyl-N-pyridin-3-ylpyridine-3-carboxamide
CID 59607054
(4-methoxyphenyl)-methylcarbamic acid
CID 22047987
4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 23508483
6-chloro-N-(4-chlorophenyl)-N-methylpyridine-3-carboxamide
CID 18419490

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide (CID 66463737) is 6-bromo-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide is COc1ccc(N(C)C(=O)c2ccc(Br)nc2)cc1.
What is the InChIKey of 6-bromo-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide?
The InChIKey is RZHACYHRYUQJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-17(11-4-6-12(19-2)7-5-11)14(18)10-3-8-13(15)16-9-10/h3-9H,1-2H3.
What are the key properties of 6-bromo-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide?
6-bromo-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide has a molecular weight of 321.17 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 66463737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).