2,6-dimethyl-4-(2-nitrosophenyl)-5-(3-oxobutan-2-yloxycarbonyl)pyridine-3-carboxylic acid

C19H18N2O6 — CID 3073497

IUPAC2,6-dimethyl-4-(2-nitrosophenyl)-5-(3-oxobutan-2-yloxycarbonyl)pyridine-3-carboxylic acid
SMILESCC(=O)C(C)OC(=O)c1c(C)nc(C)c(C(=O)O)c1-c1ccccc1N=O
InChIInChI=1S/C19H18N2O6/c1-9-15(18(23)24)17(13-7-5-6-8-14(13)21-26)16(10(2)20-9)19(25)27-12(4)11(3)22/h5-8,12H,1-4H3,(H,23,24)
InChIKeyAPIRVWKQVMPIQC-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.60
Rot. Bonds6

About 2,6-dimethyl-4-(2-nitrosophenyl)-5-(3-oxobutan-2-yloxycarbonyl)pyridine-3-carboxylic acid

2,6-dimethyl-4-(2-nitrosophenyl)-5-(3-oxobutan-2-yloxycarbonyl)pyridine-3-carboxylic acid (PubChem CID 3073497) has the molecular formula C19H18N2O6 and a molecular weight of 370.36 g/mol. Its IUPAC name is 2,6-dimethyl-4-(2-nitrosophenyl)-5-(3-oxobutan-2-yloxycarbonyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,6-dimethyl-4-(2-nitrosophenyl)-5-(3-oxobutan-2-yloxycarbonyl)pyridine-3-carboxylic acid
PubChem CID3073497
Molecular FormulaC19H18N2O6
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name2,6-dimethyl-4-(2-nitrosophenyl)-5-(3-oxobutan-2-yloxycarbonyl)pyridine-3-carboxylic acid
SMILESCC(=O)C(C)OC(=O)c1c(C)nc(C)c(C(=O)O)c1-c1ccccc1N=O
InChIInChI=1S/C19H18N2O6/c1-9-15(18(23)24)17(13-7-5-6-8-14(13)21-26)16(10(2)20-9)19(25)27-12(4)11(3)22/h5-8,12H,1-4H3,(H,23,24)
InChIKeyAPIRVWKQVMPIQC-UHFFFAOYSA-N
XLogP3.60
TPSA122.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-methoxycarbonyl-3,6-dimethyl-4-(2-nitrosophenyl)pyridine-2-carboxylic acid
CID 174688766
3-oxobutan-2-yl 2,4-dimethylquinoline-3-carboxylate
CID 18276143
ethyl 2-methyl-4-(2-nitrosophenyl)-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylate
CID 11099435
5-O-methyl 3-O-(2-methylpropyl) 4-(2-aminophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 155908669
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2,4-dimethylquinoline-3-carboxylate
CID 8825302
propan-2-yl 4-(2,3-dichlorophenyl)-2-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridine-3-carboxylate
CID 21255240
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2,4-dimethylquinoline-3-carboxylate
CID 8825277
4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxylic acid
CID 115069883
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2,4-dimethylquinoline-3-carboxylate
CID 8825300
[1-oxo-1-(2-phenylethylamino)propan-2-yl] 2,4-dimethylquinoline-3-carboxylate
CID 18122595
6-(carboxymethoxymethyl)-4-(2-chlorophenyl)-5-ethoxycarbonyl-2-methylpyridine-3-carboxylic acid
CID 14271881
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 2,4-dimethylquinoline-3-carboxylate
CID 55426792

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(2-nitrosophenyl)-5-(3-oxobutan-2-yloxycarbonyl)pyridine-3-carboxylic acid?
The IUPAC name of 2,6-dimethyl-4-(2-nitrosophenyl)-5-(3-oxobutan-2-yloxycarbonyl)pyridine-3-carboxylic acid (CID 3073497) is 2,6-dimethyl-4-(2-nitrosophenyl)-5-(3-oxobutan-2-yloxycarbonyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2,6-dimethyl-4-(2-nitrosophenyl)-5-(3-oxobutan-2-yloxycarbonyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2,6-dimethyl-4-(2-nitrosophenyl)-5-(3-oxobutan-2-yloxycarbonyl)pyridine-3-carboxylic acid is CC(=O)C(C)OC(=O)c1c(C)nc(C)c(C(=O)O)c1-c1ccccc1N=O.
What is the InChIKey of 2,6-dimethyl-4-(2-nitrosophenyl)-5-(3-oxobutan-2-yloxycarbonyl)pyridine-3-carboxylic acid?
The InChIKey is APIRVWKQVMPIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6/c1-9-15(18(23)24)17(13-7-5-6-8-14(13)21-26)16(10(2)20-9)19(25)27-12(4)11(3)22/h5-8,12H,1-4H3,(H,23,24).
What are the key properties of 2,6-dimethyl-4-(2-nitrosophenyl)-5-(3-oxobutan-2-yloxycarbonyl)pyridine-3-carboxylic acid?
2,6-dimethyl-4-(2-nitrosophenyl)-5-(3-oxobutan-2-yloxycarbonyl)pyridine-3-carboxylic acid has a molecular weight of 370.36 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(2-nitrosophenyl)-5-(3-oxobutan-2-yloxycarbonyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 3073497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).