1-[2-(dimethylamino)-2-oxoethyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydropyridine-5-carboxylic acid

C16H17FN2O4 — CID 68607445

IUPAC1-[2-(dimethylamino)-2-oxoethyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydropyridine-5-carboxylic acid
SMILESCN(C)C(=O)CN1C=C(C(=O)O)C(c2ccc(F)cc2)CC1=O
InChIInChI=1S/C16H17FN2O4/c1-18(2)15(21)9-19-8-13(16(22)23)12(7-14(19)20)10-3-5-11(17)6-4-10/h3-6,8,12H,7,9H2,1-2H3,(H,22,23)
InChIKeyPCFHNTFAGLZVOH-UHFFFAOYSA-N
MW320.32 g/mol
LogP1.20
Rot. Bonds4

About 1-[2-(dimethylamino)-2-oxoethyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydropyridine-5-carboxylic acid

1-[2-(dimethylamino)-2-oxoethyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydropyridine-5-carboxylic acid (PubChem CID 68607445) has the molecular formula C16H17FN2O4 and a molecular weight of 320.32 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-oxoethyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydropyridine-5-carboxylic acid.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-oxoethyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydropyridine-5-carboxylic acid
PubChem CID68607445
Molecular FormulaC16H17FN2O4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC Name1-[2-(dimethylamino)-2-oxoethyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydropyridine-5-carboxylic acid
SMILESCN(C)C(=O)CN1C=C(C(=O)O)C(c2ccc(F)cc2)CC1=O
InChIInChI=1S/C16H17FN2O4/c1-18(2)15(21)9-19-8-13(16(22)23)12(7-14(19)20)10-3-5-11(17)6-4-10/h3-6,8,12H,7,9H2,1-2H3,(H,22,23)
InChIKeyPCFHNTFAGLZVOH-UHFFFAOYSA-N
XLogP1.20
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl 4-(4-fluorophenyl)-3,4-dihydro-2H-pyridine-1,5-dicarboxylate
CID 10891684
3-[1-[4-(3-Fluorophenyl)-2-methylbutanoyl]piperidin-3-yl]propanoic acid
CID 120247653
4-(3,4-Difluorophenyl)-1,6-dimethyl-2-oxo-3,4-dihydropyridine-5-carboxylic acid
CID 21995569
(S)-4-(4-fluoro-phenyl)-6-oxo-1,4,5,6-tetrahydro-pyridine-3-carboxylic acid
CID 45378709
(4R)-4-(3,4-difluorophenyl)-1,6-dimethyl-2-oxo-3,4-dihydropyridine-5-carboxylic acid
CID 54241550
4-(4-Fluoro-phenyl)-6-oxo-1,4,5,6-tetrahydro-pyridine-3-carboxylic acid
CID 59377437
(4R)-4-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid
CID 68604211
4-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid
CID 68604217
(4S)-4-(3-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxylic acid
CID 68604550
4-(3-Fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxylic acid
CID 68604553
4-(3,4-difluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid
CID 68604646
4-(3-fluorophenyl)-2-hydroxy-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylic acid
CID 68604670

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-oxoethyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydropyridine-5-carboxylic acid?
The IUPAC name of 1-[2-(dimethylamino)-2-oxoethyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydropyridine-5-carboxylic acid (CID 68607445) is 1-[2-(dimethylamino)-2-oxoethyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydropyridine-5-carboxylic acid.
What is the SMILES notation for 1-[2-(dimethylamino)-2-oxoethyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydropyridine-5-carboxylic acid?
The canonical SMILES for 1-[2-(dimethylamino)-2-oxoethyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydropyridine-5-carboxylic acid is CN(C)C(=O)CN1C=C(C(=O)O)C(c2ccc(F)cc2)CC1=O.
What is the InChIKey of 1-[2-(dimethylamino)-2-oxoethyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydropyridine-5-carboxylic acid?
The InChIKey is PCFHNTFAGLZVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4/c1-18(2)15(21)9-19-8-13(16(22)23)12(7-14(19)20)10-3-5-11(17)6-4-10/h3-6,8,12H,7,9H2,1-2H3,(H,22,23).
What are the key properties of 1-[2-(dimethylamino)-2-oxoethyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydropyridine-5-carboxylic acid?
1-[2-(dimethylamino)-2-oxoethyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydropyridine-5-carboxylic acid has a molecular weight of 320.32 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-oxoethyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydropyridine-5-carboxylic acid is sourced from PubChem (CID 68607445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).