methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate

C22H18F2N2O5 — CID 46239163

IUPACmethyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate
SMILESCOC(=O)c1[nH]cc(C(=O)NCc2ccc(F)cc2F)c(=O)c1OCc1ccccc1
InChIInChI=1S/C22H18F2N2O5/c1-30-22(29)18-20(31-12-13-5-3-2-4-6-13)19(27)16(11-25-18)21(28)26-10-14-7-8-15(23)9-17(14)24/h2-9,11H,10,12H2,1H3,(H,25,27)(H,26,28)
InChIKeyFBHXVCQZVVZLCC-UHFFFAOYSA-N
MW428.39 g/mol
LogP2.95
Rot. Bonds7

About methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate

methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate (PubChem CID 46239163) has the molecular formula C22H18F2N2O5 and a molecular weight of 428.39 g/mol. Its IUPAC name is methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate
PubChem CID46239163
Molecular FormulaC22H18F2N2O5
Molecular Weight428.39 g/mol
Exact Mass428.12
IUPAC Namemethyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate
SMILESCOC(=O)c1[nH]cc(C(=O)NCc2ccc(F)cc2F)c(=O)c1OCc1ccccc1
InChIInChI=1S/C22H18F2N2O5/c1-30-22(29)18-20(31-12-13-5-3-2-4-6-13)19(27)16(11-25-18)21(28)26-10-14-7-8-15(23)9-17(14)24/h2-9,11H,10,12H2,1H3,(H,25,27)(H,26,28)
InChIKeyFBHXVCQZVVZLCC-UHFFFAOYSA-N
XLogP2.95
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-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-[(2,4-difluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate?
The IUPAC name of methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate (CID 46239163) is methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate is COC(=O)c1[nH]cc(C(=O)NCc2ccc(F)cc2F)c(=O)c1OCc1ccccc1.
What is the InChIKey of methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate?
The InChIKey is FBHXVCQZVVZLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O5/c1-30-22(29)18-20(31-12-13-5-3-2-4-6-13)19(27)16(11-25-18)21(28)26-10-14-7-8-15(23)9-17(14)24/h2-9,11H,10,12H2,1H3,(H,25,27)(H,26,28).
What are the key properties of methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate?
methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate has a molecular weight of 428.39 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate is sourced from PubChem (CID 46239163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).