1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid

C15H13FN2O4 — CID 110082547

IUPAC1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
SMILESO=C(Cn1cc(C(=O)O)ccc1=O)NCc1ccc(F)cc1
InChIInChI=1S/C15H13FN2O4/c16-12-4-1-10(2-5-12)7-17-13(19)9-18-8-11(15(21)22)3-6-14(18)20/h1-6,8H,7,9H2,(H,17,19)(H,21,22)
InChIKeyWQQALBOVVFAJMU-UHFFFAOYSA-N
MW304.28 g/mol
LogP1.00
Rot. Bonds5

About 1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid

1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid (PubChem CID 110082547) has the molecular formula C15H13FN2O4 and a molecular weight of 304.28 g/mol. Its IUPAC name is 1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
PubChem CID110082547
Molecular FormulaC15H13FN2O4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC Name1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
SMILESO=C(Cn1cc(C(=O)O)ccc1=O)NCc1ccc(F)cc1
InChIInChI=1S/C15H13FN2O4/c16-12-4-1-10(2-5-12)7-17-13(19)9-18-8-11(15(21)22)3-6-14(18)20/h1-6,8H,7,9H2,(H,17,19)(H,21,22)
InChIKeyWQQALBOVVFAJMU-UHFFFAOYSA-N
XLogP1.00
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid (CID 110082547) is 1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid is O=C(Cn1cc(C(=O)O)ccc1=O)NCc1ccc(F)cc1.
What is the InChIKey of 1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid?
The InChIKey is WQQALBOVVFAJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O4/c16-12-4-1-10(2-5-12)7-17-13(19)9-18-8-11(15(21)22)3-6-14(18)20/h1-6,8H,7,9H2,(H,17,19)(H,21,22).
What are the key properties of 1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid?
1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid has a molecular weight of 304.28 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 110082547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).