N-(4-bromo-2,3-dimethylphenyl)-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide

C19H20BrN3O3 — CID 126375912

IUPACN-(4-bromo-2,3-dimethylphenyl)-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide
SMILESCOCc1cc(C)n(CC(=O)Nc2ccc(Br)c(C)c2C)c(=O)c1C#N
InChIInChI=1S/C19H20BrN3O3/c1-11-7-14(10-26-4)15(8-21)19(25)23(11)9-18(24)22-17-6-5-16(20)12(2)13(17)3/h5-7H,9-10H2,1-4H3,(H,22,24)
InChIKeyHIRVCQJBOGEVJY-UHFFFAOYSA-N
MW418.29 g/mol
LogP3.19
Rot. Bonds5

About N-(4-bromo-2,3-dimethylphenyl)-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide

N-(4-bromo-2,3-dimethylphenyl)-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide (PubChem CID 126375912) has the molecular formula C19H20BrN3O3 and a molecular weight of 418.29 g/mol. Its IUPAC name is N-(4-bromo-2,3-dimethylphenyl)-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2,3-dimethylphenyl)-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide
PubChem CID126375912
Molecular FormulaC19H20BrN3O3
Molecular Weight418.29 g/mol
Exact Mass417.07
IUPAC NameN-(4-bromo-2,3-dimethylphenyl)-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide
SMILESCOCc1cc(C)n(CC(=O)Nc2ccc(Br)c(C)c2C)c(=O)c1C#N
InChIInChI=1S/C19H20BrN3O3/c1-11-7-14(10-26-4)15(8-21)19(25)23(11)9-18(24)22-17-6-5-16(20)12(2)13(17)3/h5-7H,9-10H2,1-4H3,(H,22,24)
InChIKeyHIRVCQJBOGEVJY-UHFFFAOYSA-N
XLogP3.19
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.29
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-bromo-2,3-dimethylphenyl)-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide with MolForge

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Related Compounds

2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 126416871
2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 126416610
N-(2-bromo-4,5-dimethylphenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide
CID 126415451
2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methylideneamino]acetamide
CID 91970293
N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide
CID 136700931
2-[3-bromo-5-cyano-4-(methoxymethyl)-2-methyl-6-oxo-1-pyridinyl]-N-(5-chloro-2-methylphenyl)acetamide
CID 126376242
2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(E)-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide
CID 75123791
2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(Z)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]acetamide
CID 98005129
1-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-4-(methoxymethyl)-6-methyl-2-oxopyridine-3-carbonitrile
CID 752064
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-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]acetamide
CID 126003224

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dimethylphenyl)-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-(4-bromo-2,3-dimethylphenyl)-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide (CID 126375912) is N-(4-bromo-2,3-dimethylphenyl)-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-(4-bromo-2,3-dimethylphenyl)-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-(4-bromo-2,3-dimethylphenyl)-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide is COCc1cc(C)n(CC(=O)Nc2ccc(Br)c(C)c2C)c(=O)c1C#N.
What is the InChIKey of N-(4-bromo-2,3-dimethylphenyl)-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide?
The InChIKey is HIRVCQJBOGEVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O3/c1-11-7-14(10-26-4)15(8-21)19(25)23(11)9-18(24)22-17-6-5-16(20)12(2)13(17)3/h5-7H,9-10H2,1-4H3,(H,22,24).
What are the key properties of N-(4-bromo-2,3-dimethylphenyl)-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide?
N-(4-bromo-2,3-dimethylphenyl)-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide has a molecular weight of 418.29 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dimethylphenyl)-2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 126375912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).