methyl 4-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylate

C21H18F2N2O4 — CID 67777494

IUPACmethyl 4-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(-n2c(C)cc(OCc3ccc(F)cc3F)cc2=O)c(C)cn1
InChIInChI=1S/C21H18F2N2O4/c1-12-10-24-18(21(27)28-3)9-19(12)25-13(2)6-16(8-20(25)26)29-11-14-4-5-15(22)7-17(14)23/h4-10H,11H2,1-3H3
InChIKeyMCQPETFTKKWKDU-UHFFFAOYSA-N
MW400.38 g/mol
LogP3.49
Rot. Bonds5

About methyl 4-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylate

methyl 4-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylate (PubChem CID 67777494) has the molecular formula C21H18F2N2O4 and a molecular weight of 400.38 g/mol. Its IUPAC name is methyl 4-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylate
PubChem CID67777494
Molecular FormulaC21H18F2N2O4
Molecular Weight400.38 g/mol
Exact Mass400.12
IUPAC Namemethyl 4-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(-n2c(C)cc(OCc3ccc(F)cc3F)cc2=O)c(C)cn1
InChIInChI=1S/C21H18F2N2O4/c1-12-10-24-18(21(27)28-3)9-19(12)25-13(2)6-16(8-20(25)26)29-11-14-4-5-15(22)7-17(14)23/h4-10H,11H2,1-3H3
InChIKeyMCQPETFTKKWKDU-UHFFFAOYSA-N
XLogP3.49
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.38
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylate?
The IUPAC name of methyl 4-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylate (CID 67777494) is methyl 4-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylate?
The canonical SMILES for methyl 4-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylate is COC(=O)c1cc(-n2c(C)cc(OCc3ccc(F)cc3F)cc2=O)c(C)cn1.
What is the InChIKey of methyl 4-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylate?
The InChIKey is MCQPETFTKKWKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O4/c1-12-10-24-18(21(27)28-3)9-19(12)25-13(2)6-16(8-20(25)26)29-11-14-4-5-15(22)7-17(14)23/h4-10H,11H2,1-3H3.
What are the key properties of methyl 4-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylate?
methyl 4-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylate has a molecular weight of 400.38 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylate is sourced from PubChem (CID 67777494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).