methyl 6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylate

C17H18FNO3 — CID 143720842

IUPACmethyl 6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylate
SMILESCCc1c(C)cc(C(=O)OC)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C17H18FNO3/c1-4-15-11(2)9-14(17(21)22-3)16(20)19(15)10-12-5-7-13(18)8-6-12/h5-9H,4,10H2,1-3H3
InChIKeyDGIXUIGXAJMTID-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.69
Rot. Bonds4

About methyl 6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylate

methyl 6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylate (PubChem CID 143720842) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is methyl 6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylate
PubChem CID143720842
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC Namemethyl 6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylate
SMILESCCc1c(C)cc(C(=O)OC)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C17H18FNO3/c1-4-15-11(2)9-14(17(21)22-3)16(20)19(15)10-12-5-7-13(18)8-6-12/h5-9H,4,10H2,1-3H3
InChIKeyDGIXUIGXAJMTID-UHFFFAOYSA-N
XLogP2.69
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylate?
The IUPAC name of methyl 6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylate (CID 143720842) is methyl 6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylate is CCc1c(C)cc(C(=O)OC)c(=O)n1Cc1ccc(F)cc1.
What is the InChIKey of methyl 6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylate?
The InChIKey is DGIXUIGXAJMTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3/c1-4-15-11(2)9-14(17(21)22-3)16(20)19(15)10-12-5-7-13(18)8-6-12/h5-9H,4,10H2,1-3H3.
What are the key properties of methyl 6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylate?
methyl 6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylate has a molecular weight of 303.33 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-ethyl-1-[(4-fluorophenyl)methyl]-5-methyl-2-oxopyridine-3-carboxylate is sourced from PubChem (CID 143720842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).