N-(3-bromophenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide

C16H14BrN3O2 — CID 126417064

IUPACN-(3-bromophenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide
SMILESCc1cc(C)n(CC(=O)Nc2cccc(Br)c2)c(=O)c1C#N
InChIInChI=1S/C16H14BrN3O2/c1-10-6-11(2)20(16(22)14(10)8-18)9-15(21)19-13-5-3-4-12(17)7-13/h3-7H,9H2,1-2H3,(H,19,21)
InChIKeyZLJFADPDYIIBCD-UHFFFAOYSA-N
MW360.21 g/mol
LogP2.74
Rot. Bonds3

About N-(3-bromophenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide

N-(3-bromophenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide (PubChem CID 126417064) has the molecular formula C16H14BrN3O2 and a molecular weight of 360.21 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide
PubChem CID126417064
Molecular FormulaC16H14BrN3O2
Molecular Weight360.21 g/mol
Exact Mass359.03
IUPAC NameN-(3-bromophenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide
SMILESCc1cc(C)n(CC(=O)Nc2cccc(Br)c2)c(=O)c1C#N
InChIInChI=1S/C16H14BrN3O2/c1-10-6-11(2)20(16(22)14(10)8-18)9-15(21)19-13-5-3-4-12(17)7-13/h3-7H,9H2,1-2H3,(H,19,21)
InChIKeyZLJFADPDYIIBCD-UHFFFAOYSA-N
XLogP2.74
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(3-methylphenyl)acetamide
CID 22424061
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(4-fluorophenyl)acetamide
CID 5306782
N-butyl-3-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-methylbenzamide
CID 46346546
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2,6-dichlorophenyl)acetamide
CID 126415856
4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]benzoic acid
CID 53331259
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(4-propan-2-ylphenyl)acetamide
CID 2746405
N-(2-bromo-4,5-dimethylphenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide
CID 126415451
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 86207798
3-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-[(2,4-dimethoxyphenyl)methyl]benzamide
CID 46346516
N-(3-bromophenyl)-2-(2-cyano-3-methylanilino)acetamide
CID 107804330
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2,5-difluorophenyl)acetamide
CID 8721534
butyl 4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]benzoate
CID 126415850

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide (CID 126417064) is N-(3-bromophenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide is Cc1cc(C)n(CC(=O)Nc2cccc(Br)c2)c(=O)c1C#N.
What is the InChIKey of N-(3-bromophenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide?
The InChIKey is ZLJFADPDYIIBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O2/c1-10-6-11(2)20(16(22)14(10)8-18)9-15(21)19-13-5-3-4-12(17)7-13/h3-7H,9H2,1-2H3,(H,19,21).
What are the key properties of N-(3-bromophenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide?
N-(3-bromophenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide has a molecular weight of 360.21 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 126417064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).