methyl 6-[[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]methyl]pyridine-3-carboxylate

C21H18F2N2O4 — CID 22049922

IUPACmethyl 6-[[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Cn2c(C)cc(OCc3ccc(F)cc3F)cc2=O)nc1
InChIInChI=1S/C21H18F2N2O4/c1-13-7-18(29-12-15-3-5-16(22)8-19(15)23)9-20(26)25(13)11-17-6-4-14(10-24-17)21(27)28-2/h3-10H,11-12H2,1-2H3
InChIKeyRXGLLGXSOQVUKY-UHFFFAOYSA-N
MW400.38 g/mol
LogP3.24
Rot. Bonds6

About methyl 6-[[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]methyl]pyridine-3-carboxylate

methyl 6-[[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]methyl]pyridine-3-carboxylate (PubChem CID 22049922) has the molecular formula C21H18F2N2O4 and a molecular weight of 400.38 g/mol. Its IUPAC name is methyl 6-[[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]methyl]pyridine-3-carboxylate
PubChem CID22049922
Molecular FormulaC21H18F2N2O4
Molecular Weight400.38 g/mol
Exact Mass400.12
IUPAC Namemethyl 6-[[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Cn2c(C)cc(OCc3ccc(F)cc3F)cc2=O)nc1
InChIInChI=1S/C21H18F2N2O4/c1-13-7-18(29-12-15-3-5-16(22)8-19(15)23)9-20(26)25(13)11-17-6-4-14(10-24-17)21(27)28-2/h3-10H,11-12H2,1-2H3
InChIKeyRXGLLGXSOQVUKY-UHFFFAOYSA-N
XLogP3.24
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.38
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 6-[[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]methyl]pyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]methyl]pyridine-3-carboxylate (CID 22049922) is methyl 6-[[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]methyl]pyridine-3-carboxylate is COC(=O)c1ccc(Cn2c(C)cc(OCc3ccc(F)cc3F)cc2=O)nc1.
What is the InChIKey of methyl 6-[[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]methyl]pyridine-3-carboxylate?
The InChIKey is RXGLLGXSOQVUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O4/c1-13-7-18(29-12-15-3-5-16(22)8-19(15)23)9-20(26)25(13)11-17-6-4-14(10-24-17)21(27)28-2/h3-10H,11-12H2,1-2H3.
What are the key properties of methyl 6-[[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]methyl]pyridine-3-carboxylate?
methyl 6-[[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]methyl]pyridine-3-carboxylate has a molecular weight of 400.38 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]methyl]pyridine-3-carboxylate is sourced from PubChem (CID 22049922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).