5-(2-fluoro-4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxylic acid

C19H20FNO4 — CID 129135031

IUPAC5-(2-fluoro-4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxylic acid
SMILESCc1ccc(-c2cn(CC3CCOCC3)cc(C(=O)O)c2=O)c(F)c1
InChIInChI=1S/C19H20FNO4/c1-12-2-3-14(17(20)8-12)15-10-21(9-13-4-6-25-7-5-13)11-16(18(15)22)19(23)24/h2-3,8,10-11,13H,4-7,9H2,1H3,(H,23,24)
InChIKeySSTACBWUDSOHJH-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.09
Rot. Bonds4

About 5-(2-fluoro-4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxylic acid

5-(2-fluoro-4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxylic acid (PubChem CID 129135031) has the molecular formula C19H20FNO4 and a molecular weight of 345.37 g/mol. Its IUPAC name is 5-(2-fluoro-4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-fluoro-4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxylic acid
PubChem CID129135031
Molecular FormulaC19H20FNO4
Molecular Weight345.37 g/mol
Exact Mass345.14
IUPAC Name5-(2-fluoro-4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxylic acid
SMILESCc1ccc(-c2cn(CC3CCOCC3)cc(C(=O)O)c2=O)c(F)c1
InChIInChI=1S/C19H20FNO4/c1-12-2-3-14(17(20)8-12)15-10-21(9-13-4-6-25-7-5-13)11-16(18(15)22)19(23)24/h2-3,8,10-11,13H,4-7,9H2,1H3,(H,23,24)
InChIKeySSTACBWUDSOHJH-UHFFFAOYSA-N
XLogP3.09
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-(3,5-difluorophenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxylate
CID 135198344
N-[4-[2-amino-5-(1-ethylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
CID 129110694
N-[4-[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid
CID 129110647
5-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
CID 129300479
5-(2,4-difluorophenyl)-4-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxylic acid
CID 148685272
N-(6-chloropyridazin-3-yl)-5-(5-methyl-2-pyridinyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
CID 129135110
5-methyl-2-[methyl(oxan-4-ylmethyl)amino]benzoic acid
CID 55227035
3-[2-[4-[2-amino-5-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]phenyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one;methanesulfonic acid
CID 159732855
3-[[4-[2-amino-5-(3,4-dihydroxyphenyl)-3-pyridinyl]-3-fluoroanilino]methyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one
CID 118657313
N-[4-[2-amino-5-[4-[[(2S)-1,4-dioxan-2-yl]methoxy]-3-hydroxyphenyl]-3-pyridinyl]-3-fluorophenyl]-5-(5-methyl-2-pyridinyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
CID 118657286
N-[4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-3-pyridinyl]-2-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
CID 129135523
1-(oxan-4-ylmethyl)pyrrole-3-carboxylic acid
CID 79104228

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 5-(2-fluoro-4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxylic acid (CID 129135031) is 5-(2-fluoro-4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 5-(2-fluoro-4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 5-(2-fluoro-4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxylic acid is Cc1ccc(-c2cn(CC3CCOCC3)cc(C(=O)O)c2=O)c(F)c1.
What is the InChIKey of 5-(2-fluoro-4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxylic acid?
The InChIKey is SSTACBWUDSOHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4/c1-12-2-3-14(17(20)8-12)15-10-21(9-13-4-6-25-7-5-13)11-16(18(15)22)19(23)24/h2-3,8,10-11,13H,4-7,9H2,1H3,(H,23,24).
What are the key properties of 5-(2-fluoro-4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxylic acid?
5-(2-fluoro-4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxylic acid has a molecular weight of 345.37 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 129135031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).