N-(2-bromo-4,5-dimethylphenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide

C18H18BrN3O2 — CID 126415451

IUPACN-(2-bromo-4,5-dimethylphenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide
SMILESCc1cc(Br)c(NC(=O)Cn2c(C)cc(C)c(C#N)c2=O)cc1C
InChIInChI=1S/C18H18BrN3O2/c1-10-6-15(19)16(7-11(10)2)21-17(23)9-22-13(4)5-12(3)14(8-20)18(22)24/h5-7H,9H2,1-4H3,(H,21,23)
InChIKeyCELAJBRIBBUKFV-UHFFFAOYSA-N
MW388.27 g/mol
LogP3.35
Rot. Bonds3

About N-(2-bromo-4,5-dimethylphenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide

N-(2-bromo-4,5-dimethylphenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide (PubChem CID 126415451) has the molecular formula C18H18BrN3O2 and a molecular weight of 388.27 g/mol. Its IUPAC name is N-(2-bromo-4,5-dimethylphenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4,5-dimethylphenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide
PubChem CID126415451
Molecular FormulaC18H18BrN3O2
Molecular Weight388.27 g/mol
Exact Mass387.06
IUPAC NameN-(2-bromo-4,5-dimethylphenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide
SMILESCc1cc(Br)c(NC(=O)Cn2c(C)cc(C)c(C#N)c2=O)cc1C
InChIInChI=1S/C18H18BrN3O2/c1-10-6-15(19)16(7-11(10)2)21-17(23)9-22-13(4)5-12(3)14(8-20)18(22)24/h5-7H,9H2,1-4H3,(H,21,23)
InChIKeyCELAJBRIBBUKFV-UHFFFAOYSA-N
XLogP3.35
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 53.35
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-(2,5-difluorophenyl)acetamide
CID 8721534
N-(3-bromophenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide
CID 126417064
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-(2-methyl-5-nitrophenyl)acetamide
CID 126416168
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(4-fluorophenyl)acetamide
CID 5306782
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
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 86207797
N-(4-bromo-2,3-dimethylphenyl)-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide
CID 126375912
2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-cyclopentylbenzamide
CID 46346640
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 86207798

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,5-dimethylphenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-(2-bromo-4,5-dimethylphenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide (CID 126415451) is N-(2-bromo-4,5-dimethylphenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-(2-bromo-4,5-dimethylphenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-(2-bromo-4,5-dimethylphenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide is Cc1cc(Br)c(NC(=O)Cn2c(C)cc(C)c(C#N)c2=O)cc1C.
What is the InChIKey of N-(2-bromo-4,5-dimethylphenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide?
The InChIKey is CELAJBRIBBUKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O2/c1-10-6-15(19)16(7-11(10)2)21-17(23)9-22-13(4)5-12(3)14(8-20)18(22)24/h5-7H,9H2,1-4H3,(H,21,23).
What are the key properties of N-(2-bromo-4,5-dimethylphenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide?
N-(2-bromo-4,5-dimethylphenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide has a molecular weight of 388.27 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,5-dimethylphenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 126415451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).