1-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carboxylic acid

C17H17FN2O4 — CID 66766817

IUPAC1-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cc(CN2CCOCC2)cn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C17H17FN2O4/c18-13-1-3-14(4-2-13)20-11-12(9-15(16(20)21)17(22)23)10-19-5-7-24-8-6-19/h1-4,9,11H,5-8,10H2,(H,22,23)
InChIKeyCMDFYEPURQYWPK-UHFFFAOYSA-N
MW332.33 g/mol
LogP1.51
Rot. Bonds4

About 1-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carboxylic acid

1-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carboxylic acid (PubChem CID 66766817) has the molecular formula C17H17FN2O4 and a molecular weight of 332.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carboxylic acid
PubChem CID66766817
Molecular FormulaC17H17FN2O4
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC Name1-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cc(CN2CCOCC2)cn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C17H17FN2O4/c18-13-1-3-14(4-2-13)20-11-12(9-15(16(20)21)17(22)23)10-19-5-7-24-8-6-19/h1-4,9,11H,5-8,10H2,(H,22,23)
InChIKeyCMDFYEPURQYWPK-UHFFFAOYSA-N
XLogP1.51
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)pyrazole-4-carboxylic acid
CID 82187883
1-(4-fluorophenyl)-2-oxopyridine-3-carboxylic acid
CID 21081527
4-[[4-(4-fluorophenyl)phenyl]methyl]morpholine
CID 11161574
2-hydroxy-4-(morpholin-4-ylmethyl)benzoic acid;hydrochloride
CID 69296468
2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid
CID 46785387
2-(4-fluorophenyl)-1-oxoisoquinoline-4-carboxylic acid
CID 3613859
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 18728366
2,4-difluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 108731005
2,5-difluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 78802644
(3,4-difluorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724260
2-[4-[(E)-3-(4-fluorophenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enoxy]-2-methylphenoxy]acetic acid
CID 67965806
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 110688043

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carboxylic acid (CID 66766817) is 1-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carboxylic acid is O=C(O)c1cc(CN2CCOCC2)cn(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 1-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carboxylic acid?
The InChIKey is CMDFYEPURQYWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4/c18-13-1-3-14(4-2-13)20-11-12(9-15(16(20)21)17(22)23)10-19-5-7-24-8-6-19/h1-4,9,11H,5-8,10H2,(H,22,23).
What are the key properties of 1-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carboxylic acid?
1-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carboxylic acid has a molecular weight of 332.33 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 66766817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).