N-(3-bromophenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide

C16H14BrN3O — CID 950620

IUPACN-(3-bromophenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide
SMILESCC(=O)N(c1cccc(Br)c1)c1nc(C)cc(C)c1C#N
InChIInChI=1S/C16H14BrN3O/c1-10-7-11(2)19-16(15(10)9-18)20(12(3)21)14-6-4-5-13(17)8-14/h4-8H,1-3H3
InChIKeyLWMDRVIFMRNKIX-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.02
Rot. Bonds2

About N-(3-bromophenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide

N-(3-bromophenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide (PubChem CID 950620) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is N-(3-bromophenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide
PubChem CID950620
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC NameN-(3-bromophenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide
SMILESCC(=O)N(c1cccc(Br)c1)c1nc(C)cc(C)c1C#N
InChIInChI=1S/C16H14BrN3O/c1-10-7-11(2)19-16(15(10)9-18)20(12(3)21)14-6-4-5-13(17)8-14/h4-8H,1-3H3
InChIKeyLWMDRVIFMRNKIX-UHFFFAOYSA-N
XLogP4.02
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(3-bromophenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide 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

N-(3-Cyano-4,6-dimethyl-pyridin-2-yl)-N-p-tolyl-acetamide
CID 781001
N-(4-chlorophenyl)-N-(3-cyano-4,6-dimethylpyridin-2-yl)acetamide
CID 740893
N-(3-cyano-4,6-dimethylpyridin-2-yl)-N-phenylacetamide
CID 740890
N-(5-bromo-6-methylpyridin-2-yl)-3-phenylpropanamide
CID 975977
N-(3-chlorophenyl)-N-(3-cyano-4,6-dimethylpyridin-2-yl)acetamide
CID 740896
2-(3-Bromo-phenylamino)-4,6-dimethyl-nicotinonitrile
CID 750178
N-(3-cyano-6-methyl-5-phenyl-2-pyridinyl)-N-(3,5-dimethylphenyl)acetamide
CID 164912202
N-[3-cyano-6-(2-methylpropyl)-4-phenylpyridin-2-yl]acetamide
CID 916003
4-[3-(5-Bromo-4,6-dimethyl-2-pyridyl)-4-oxo-thiazolidin-2-yl]benzonitrile
CID 90681356
N-[4-(3-bromophenyl)-3-cyano-6-(2-methylpropyl)pyridin-2-yl]acetamide
CID 1113508
N-(4-bromophenyl)-2-[[3-cyano-4,6-bis(trifluoromethyl)pyridin-2-yl]amino]-N-methylacetamide
CID 154667006
1-(2-Bromophenyl)-4-ethyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
CID 158542754

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide?
The IUPAC name of N-(3-bromophenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide (CID 950620) is N-(3-bromophenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide?
The canonical SMILES for N-(3-bromophenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide is CC(=O)N(c1cccc(Br)c1)c1nc(C)cc(C)c1C#N.
What is the InChIKey of N-(3-bromophenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide?
The InChIKey is LWMDRVIFMRNKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c1-10-7-11(2)19-16(15(10)9-18)20(12(3)21)14-6-4-5-13(17)8-14/h4-8H,1-3H3.
What are the key properties of N-(3-bromophenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide?
N-(3-bromophenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide has a molecular weight of 344.21 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide is sourced from PubChem (CID 950620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).