[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 4-methyl-2-oxo-1H-pyridine-3-carboxylate

C17H17FN2O4 — CID 75449261

IUPAC[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 4-methyl-2-oxo-1H-pyridine-3-carboxylate
SMILESCc1ccc(CNC(=O)COC(=O)c2c(C)cc[nH]c2=O)cc1F
InChIInChI=1S/C17H17FN2O4/c1-10-3-4-12(7-13(10)18)8-20-14(21)9-24-17(23)15-11(2)5-6-19-16(15)22/h3-7H,8-9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyFCWMEESMLUIKSO-UHFFFAOYSA-N
MW332.33 g/mol
LogP1.60
Rot. Bonds5

About [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 4-methyl-2-oxo-1H-pyridine-3-carboxylate

[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 4-methyl-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 75449261) has the molecular formula C17H17FN2O4 and a molecular weight of 332.33 g/mol. Its IUPAC name is [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 4-methyl-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 4-methyl-2-oxo-1H-pyridine-3-carboxylate
PubChem CID75449261
Molecular FormulaC17H17FN2O4
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC Name[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 4-methyl-2-oxo-1H-pyridine-3-carboxylate
SMILESCc1ccc(CNC(=O)COC(=O)c2c(C)cc[nH]c2=O)cc1F
InChIInChI=1S/C17H17FN2O4/c1-10-3-4-12(7-13(10)18)8-20-14(21)9-24-17(23)15-11(2)5-6-19-16(15)22/h3-7H,8-9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyFCWMEESMLUIKSO-UHFFFAOYSA-N
XLogP1.60
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 4-methyl-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 4-methyl-2-oxo-1H-pyridine-3-carboxylate (CID 75449261) is [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 4-methyl-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 4-methyl-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 4-methyl-2-oxo-1H-pyridine-3-carboxylate is Cc1ccc(CNC(=O)COC(=O)c2c(C)cc[nH]c2=O)cc1F.
What is the InChIKey of [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 4-methyl-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is FCWMEESMLUIKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4/c1-10-3-4-12(7-13(10)18)8-20-14(21)9-24-17(23)15-11(2)5-6-19-16(15)22/h3-7H,8-9H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 4-methyl-2-oxo-1H-pyridine-3-carboxylate?
[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 4-methyl-2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 332.33 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 4-methyl-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 75449261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).