6-[4-(dimethylamino)-3-fluorophenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid

C16H17FN2O4 — CID 71281976

IUPAC6-[4-(dimethylamino)-3-fluorophenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc(N(C)C)c(F)c2)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C16H17FN2O4/c1-4-9-13(18-15(21)12(14(9)20)16(22)23)8-5-6-11(19(2)3)10(17)7-8/h5-7H,4H2,1-3H3,(H,22,23)(H2,18,20,21)
InChIKeyHRAKPGLZGSDJAC-UHFFFAOYSA-N
MW320.32 g/mol
LogP2.21
Rot. Bonds4

About 6-[4-(dimethylamino)-3-fluorophenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid

6-[4-(dimethylamino)-3-fluorophenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71281976) has the molecular formula C16H17FN2O4 and a molecular weight of 320.32 g/mol. Its IUPAC name is 6-[4-(dimethylamino)-3-fluorophenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-(dimethylamino)-3-fluorophenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID71281976
Molecular FormulaC16H17FN2O4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC Name6-[4-(dimethylamino)-3-fluorophenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc(N(C)C)c(F)c2)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C16H17FN2O4/c1-4-9-13(18-15(21)12(14(9)20)16(22)23)8-5-6-11(19(2)3)10(17)7-8/h5-7H,4H2,1-3H3,(H,22,23)(H2,18,20,21)
InChIKeyHRAKPGLZGSDJAC-UHFFFAOYSA-N
XLogP2.21
TPSA93.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 71292624
6-[4-(dimethylamino)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 71281676
6-Fluoro-2-hydroxyquinoline-3-carboxylic acid
CID 22690285
1-Benzyl-6-[4-(dimethylamino)phenyl]-5-ethyl-4-hydroxy-2-oxopyridine-3-carboxylic acid
CID 137644959
6-[4-(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 71281769
6-(4-(Dimethylamino)phenyl)-5-ethyl-4-methoxy-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 71281784
6-[4-(diethylamino)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 71281794
6-[4-(dimethylamino)phenyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 71281801
5-cyclopropyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 71281814
6-[4-[3-[1-(dimethylamino)cyclopropyl]pyrrolidin-1-yl]phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 71281837
6-[4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 71281876
6-[4-(dimethylamino)-2-methylphenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 71281877

Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)-3-fluorophenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-[4-(dimethylamino)-3-fluorophenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid (CID 71281976) is 6-[4-(dimethylamino)-3-fluorophenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-(dimethylamino)-3-fluorophenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-(dimethylamino)-3-fluorophenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc(N(C)C)c(F)c2)[nH]c(=O)c(C(=O)O)c1O.
What is the InChIKey of 6-[4-(dimethylamino)-3-fluorophenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is HRAKPGLZGSDJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4/c1-4-9-13(18-15(21)12(14(9)20)16(22)23)8-5-6-11(19(2)3)10(17)7-8/h5-7H,4H2,1-3H3,(H,22,23)(H2,18,20,21).
What are the key properties of 6-[4-(dimethylamino)-3-fluorophenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
6-[4-(dimethylamino)-3-fluorophenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 320.32 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)-3-fluorophenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71281976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).