6-bromo-N-(3-cyanophenyl)-N-methylpyridine-2-carboxamide

C14H10BrN3O — CID 103874290

IUPAC6-bromo-N-(3-cyanophenyl)-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1cccc(Br)n1)c1cccc(C#N)c1
InChIInChI=1S/C14H10BrN3O/c1-18(11-5-2-4-10(8-11)9-16)14(19)12-6-3-7-13(15)17-12/h2-8H,1H3
InChIKeyDWVYYAZBYHGNKZ-UHFFFAOYSA-N
MW316.16 g/mol
LogP2.99
Rot. Bonds2

About 6-bromo-N-(3-cyanophenyl)-N-methylpyridine-2-carboxamide

6-bromo-N-(3-cyanophenyl)-N-methylpyridine-2-carboxamide (PubChem CID 103874290) has the molecular formula C14H10BrN3O and a molecular weight of 316.16 g/mol. Its IUPAC name is 6-bromo-N-(3-cyanophenyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(3-cyanophenyl)-N-methylpyridine-2-carboxamide
PubChem CID103874290
Molecular FormulaC14H10BrN3O
Molecular Weight316.16 g/mol
Exact Mass315.00
IUPAC Name6-bromo-N-(3-cyanophenyl)-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1cccc(Br)n1)c1cccc(C#N)c1
InChIInChI=1S/C14H10BrN3O/c1-18(11-5-2-4-10(8-11)9-16)14(19)12-6-3-7-13(15)17-12/h2-8H,1H3
InChIKeyDWVYYAZBYHGNKZ-UHFFFAOYSA-N
XLogP2.99
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-bromo-N-(3-cyanophenyl)-N-methylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-(3-cyanophenyl)-N-methylpyridine-2-carboxamide
CID 62981357
3-bromo-N-(3-cyanophenyl)-N-methylbenzamide
CID 47407969
5-bromo-N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide
CID 47407994
6-bromo-N-methyl-N-pyridin-3-ylpyridine-2-carboxamide
CID 103889921
3-bromo-N-(3-cyanophenyl)-N,4-dimethylbenzamide
CID 79467111
2-amino-4-bromo-N-(3-cyanophenyl)-N-methylbenzamide
CID 79723280
3-[(3-cyanophenyl)-methylcarbamoyl]benzoic acid
CID 62981166
3,5-diamino-N-(3-cyanophenyl)-N-methylbenzamide
CID 62983145
N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide
CID 47407929
N-(3-cyanophenyl)-N,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79479305
N-(3-cyanophenyl)-N,2-dimethylpyridine-4-carboxamide
CID 106752946
N-(3-cyanophenyl)-N,2-dimethylpyrazole-3-carboxamide
CID 55153792

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-cyanophenyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-(3-cyanophenyl)-N-methylpyridine-2-carboxamide (CID 103874290) is 6-bromo-N-(3-cyanophenyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(3-cyanophenyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(3-cyanophenyl)-N-methylpyridine-2-carboxamide is CN(C(=O)c1cccc(Br)n1)c1cccc(C#N)c1.
What is the InChIKey of 6-bromo-N-(3-cyanophenyl)-N-methylpyridine-2-carboxamide?
The InChIKey is DWVYYAZBYHGNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O/c1-18(11-5-2-4-10(8-11)9-16)14(19)12-6-3-7-13(15)17-12/h2-8H,1H3.
What are the key properties of 6-bromo-N-(3-cyanophenyl)-N-methylpyridine-2-carboxamide?
6-bromo-N-(3-cyanophenyl)-N-methylpyridine-2-carboxamide has a molecular weight of 316.16 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-cyanophenyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 103874290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).