methyl 2-(4-ethyl-2-fluoroanilino)-1-methyl-6-oxo-4-(2-oxoethyl)pyridine-3-carboxylate

C18H19FN2O4 — CID 165386484

IUPACmethyl 2-(4-ethyl-2-fluoroanilino)-1-methyl-6-oxo-4-(2-oxoethyl)pyridine-3-carboxylate
SMILESCCc1ccc(Nc2c(C(=O)OC)c(CC=O)cc(=O)n2C)c(F)c1
InChIInChI=1S/C18H19FN2O4/c1-4-11-5-6-14(13(19)9-11)20-17-16(18(24)25-3)12(7-8-22)10-15(23)21(17)2/h5-6,8-10,20H,4,7H2,1-3H3
InChIKeyDHVVRLLTJRBXKH-UHFFFAOYSA-N
MW346.36 g/mol
LogP2.36
Rot. Bonds6

About methyl 2-(4-ethyl-2-fluoroanilino)-1-methyl-6-oxo-4-(2-oxoethyl)pyridine-3-carboxylate

methyl 2-(4-ethyl-2-fluoroanilino)-1-methyl-6-oxo-4-(2-oxoethyl)pyridine-3-carboxylate (PubChem CID 165386484) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is methyl 2-(4-ethyl-2-fluoroanilino)-1-methyl-6-oxo-4-(2-oxoethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-ethyl-2-fluoroanilino)-1-methyl-6-oxo-4-(2-oxoethyl)pyridine-3-carboxylate
PubChem CID165386484
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC Namemethyl 2-(4-ethyl-2-fluoroanilino)-1-methyl-6-oxo-4-(2-oxoethyl)pyridine-3-carboxylate
SMILESCCc1ccc(Nc2c(C(=O)OC)c(CC=O)cc(=O)n2C)c(F)c1
InChIInChI=1S/C18H19FN2O4/c1-4-11-5-6-14(13(19)9-11)20-17-16(18(24)25-3)12(7-8-22)10-15(23)21(17)2/h5-6,8-10,20H,4,7H2,1-3H3
InChIKeyDHVVRLLTJRBXKH-UHFFFAOYSA-N
XLogP2.36
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-ethyl-2-fluoroanilino)-1-methyl-6-oxo-4-(2-oxoethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-(4-ethyl-2-fluoroanilino)-1-methyl-6-oxo-4-(2-oxoethyl)pyridine-3-carboxylate (CID 165386484) is methyl 2-(4-ethyl-2-fluoroanilino)-1-methyl-6-oxo-4-(2-oxoethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(4-ethyl-2-fluoroanilino)-1-methyl-6-oxo-4-(2-oxoethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(4-ethyl-2-fluoroanilino)-1-methyl-6-oxo-4-(2-oxoethyl)pyridine-3-carboxylate is CCc1ccc(Nc2c(C(=O)OC)c(CC=O)cc(=O)n2C)c(F)c1.
What is the InChIKey of methyl 2-(4-ethyl-2-fluoroanilino)-1-methyl-6-oxo-4-(2-oxoethyl)pyridine-3-carboxylate?
The InChIKey is DHVVRLLTJRBXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4/c1-4-11-5-6-14(13(19)9-11)20-17-16(18(24)25-3)12(7-8-22)10-15(23)21(17)2/h5-6,8-10,20H,4,7H2,1-3H3.
What are the key properties of methyl 2-(4-ethyl-2-fluoroanilino)-1-methyl-6-oxo-4-(2-oxoethyl)pyridine-3-carboxylate?
methyl 2-(4-ethyl-2-fluoroanilino)-1-methyl-6-oxo-4-(2-oxoethyl)pyridine-3-carboxylate has a molecular weight of 346.36 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-ethyl-2-fluoroanilino)-1-methyl-6-oxo-4-(2-oxoethyl)pyridine-3-carboxylate is sourced from PubChem (CID 165386484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).