methyl 5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2-carboxylate

C24H21FN2O6 — CID 59600572

IUPACmethyl 5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2-carboxylate
SMILESCOC(=O)c1c(OCc2ccccc2)c(=O)c(C(=O)NCc2ccc(F)cc2)cn1CC=O
InChIInChI=1S/C24H21FN2O6/c1-32-24(31)20-22(33-15-17-5-3-2-4-6-17)21(29)19(14-27(20)11-12-28)23(30)26-13-16-7-9-18(25)10-8-16/h2-10,12,14H,11,13,15H2,1H3,(H,26,30)
InChIKeyNBANPWNFLURNRW-UHFFFAOYSA-N
MW452.44 g/mol
LogP2.48
Rot. Bonds9

About methyl 5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2-carboxylate

methyl 5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2-carboxylate (PubChem CID 59600572) has the molecular formula C24H21FN2O6 and a molecular weight of 452.44 g/mol. Its IUPAC name is methyl 5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2-carboxylate
PubChem CID59600572
Molecular FormulaC24H21FN2O6
Molecular Weight452.44 g/mol
Exact Mass452.14
IUPAC Namemethyl 5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2-carboxylate
SMILESCOC(=O)c1c(OCc2ccccc2)c(=O)c(C(=O)NCc2ccc(F)cc2)cn1CC=O
InChIInChI=1S/C24H21FN2O6/c1-32-24(31)20-22(33-15-17-5-3-2-4-6-17)21(29)19(14-27(20)11-12-28)23(30)26-13-16-7-9-18(25)10-8-16/h2-10,12,14H,11,13,15H2,1H3,(H,26,30)
InChIKeyNBANPWNFLURNRW-UHFFFAOYSA-N
XLogP2.48
TPSA103.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2-carboxylate?
The IUPAC name of methyl 5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2-carboxylate (CID 59600572) is methyl 5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2-carboxylate?
The canonical SMILES for methyl 5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2-carboxylate is COC(=O)c1c(OCc2ccccc2)c(=O)c(C(=O)NCc2ccc(F)cc2)cn1CC=O.
What is the InChIKey of methyl 5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2-carboxylate?
The InChIKey is NBANPWNFLURNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O6/c1-32-24(31)20-22(33-15-17-5-3-2-4-6-17)21(29)19(14-27(20)11-12-28)23(30)26-13-16-7-9-18(25)10-8-16/h2-10,12,14H,11,13,15H2,1H3,(H,26,30).
What are the key properties of methyl 5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2-carboxylate?
methyl 5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2-carboxylate has a molecular weight of 452.44 g/mol, XLogP of 2.48, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2-carboxylate is sourced from PubChem (CID 59600572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).