2-[3-bromo-5-cyano-4-(methoxymethyl)-2-methyl-6-oxo-1-pyridinyl]-N-(5-chloro-2-methylphenyl)acetamide

C18H17BrClN3O3 — CID 126376242

IUPAC2-[3-bromo-5-cyano-4-(methoxymethyl)-2-methyl-6-oxo-1-pyridinyl]-N-(5-chloro-2-methylphenyl)acetamide
SMILESCOCc1c(Br)c(C)n(CC(=O)Nc2cc(Cl)ccc2C)c(=O)c1C#N
InChIInChI=1S/C18H17BrClN3O3/c1-10-4-5-12(20)6-15(10)22-16(24)8-23-11(2)17(19)14(9-26-3)13(7-21)18(23)25/h4-6H,8-9H2,1-3H3,(H,22,24)
InChIKeyITKGJQQLNOPSDP-UHFFFAOYSA-N
MW438.71 g/mol
LogP3.54
Rot. Bonds5

About 2-[3-bromo-5-cyano-4-(methoxymethyl)-2-methyl-6-oxo-1-pyridinyl]-N-(5-chloro-2-methylphenyl)acetamide

2-[3-bromo-5-cyano-4-(methoxymethyl)-2-methyl-6-oxo-1-pyridinyl]-N-(5-chloro-2-methylphenyl)acetamide (PubChem CID 126376242) has the molecular formula C18H17BrClN3O3 and a molecular weight of 438.71 g/mol. Its IUPAC name is 2-[3-bromo-5-cyano-4-(methoxymethyl)-2-methyl-6-oxo-1-pyridinyl]-N-(5-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-bromo-5-cyano-4-(methoxymethyl)-2-methyl-6-oxo-1-pyridinyl]-N-(5-chloro-2-methylphenyl)acetamide
PubChem CID126376242
Molecular FormulaC18H17BrClN3O3
Molecular Weight438.71 g/mol
Exact Mass437.01
IUPAC Name2-[3-bromo-5-cyano-4-(methoxymethyl)-2-methyl-6-oxo-1-pyridinyl]-N-(5-chloro-2-methylphenyl)acetamide
SMILESCOCc1c(Br)c(C)n(CC(=O)Nc2cc(Cl)ccc2C)c(=O)c1C#N
InChIInChI=1S/C18H17BrClN3O3/c1-10-4-5-12(20)6-15(10)22-16(24)8-23-11(2)17(19)14(9-26-3)13(7-21)18(23)25/h4-6H,8-9H2,1-3H3,(H,22,24)
InChIKeyITKGJQQLNOPSDP-UHFFFAOYSA-N
XLogP3.54
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.71
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-bromo-5-cyano-4-(methoxymethyl)-2-methyl-6-oxo-1-pyridinyl]-N-(3-chloro-4-methylphenyl)acetamide
CID 126375783
2-[3-bromo-5-cyano-4-(methoxymethyl)-2-methyl-6-oxo-1-pyridinyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 126375417
2-[3-bromo-5-cyano-4-(methoxymethyl)-2-methyl-6-oxo-1-pyridinyl]-N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 75123844
N-(4-bromo-2,3-dimethylphenyl)-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide
CID 126375912
N-(5-chloro-2-methylphenyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
CID 18273873
2-[3-bromo-5-cyano-4-(methoxymethyl)-2-methyl-6-oxo-1-pyridinyl]-N-[(Z)-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]methylideneamino]acetamide
CID 126010798
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 8537439
N-(5-chloro-2-methoxyphenyl)-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 33399213
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate
CID 7588252
N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-oxoquinolin-1-yl)acetamide
CID 39767924
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2-methyl-5-nitrophenyl)acetamide
CID 126416168

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-5-cyano-4-(methoxymethyl)-2-methyl-6-oxo-1-pyridinyl]-N-(5-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-[3-bromo-5-cyano-4-(methoxymethyl)-2-methyl-6-oxo-1-pyridinyl]-N-(5-chloro-2-methylphenyl)acetamide (CID 126376242) is 2-[3-bromo-5-cyano-4-(methoxymethyl)-2-methyl-6-oxo-1-pyridinyl]-N-(5-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-bromo-5-cyano-4-(methoxymethyl)-2-methyl-6-oxo-1-pyridinyl]-N-(5-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[3-bromo-5-cyano-4-(methoxymethyl)-2-methyl-6-oxo-1-pyridinyl]-N-(5-chloro-2-methylphenyl)acetamide is COCc1c(Br)c(C)n(CC(=O)Nc2cc(Cl)ccc2C)c(=O)c1C#N.
What is the InChIKey of 2-[3-bromo-5-cyano-4-(methoxymethyl)-2-methyl-6-oxo-1-pyridinyl]-N-(5-chloro-2-methylphenyl)acetamide?
The InChIKey is ITKGJQQLNOPSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrClN3O3/c1-10-4-5-12(20)6-15(10)22-16(24)8-23-11(2)17(19)14(9-26-3)13(7-21)18(23)25/h4-6H,8-9H2,1-3H3,(H,22,24).
What are the key properties of 2-[3-bromo-5-cyano-4-(methoxymethyl)-2-methyl-6-oxo-1-pyridinyl]-N-(5-chloro-2-methylphenyl)acetamide?
2-[3-bromo-5-cyano-4-(methoxymethyl)-2-methyl-6-oxo-1-pyridinyl]-N-(5-chloro-2-methylphenyl)acetamide has a molecular weight of 438.71 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-5-cyano-4-(methoxymethyl)-2-methyl-6-oxo-1-pyridinyl]-N-(5-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 126376242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).