methyl 3-[[6-(2,4-difluorophenyl)-2-pyridinyl]amino]-4-methylbenzoate

C20H16F2N2O2 — CID 67772794

IUPACmethyl 3-[[6-(2,4-difluorophenyl)-2-pyridinyl]amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(Nc2cccc(-c3ccc(F)cc3F)n2)c1
InChIInChI=1S/C20H16F2N2O2/c1-12-6-7-13(20(25)26-2)10-18(12)24-19-5-3-4-17(23-19)15-9-8-14(21)11-16(15)22/h3-11H,1-2H3,(H,23,24)
InChIKeyPRIWWVAPILBDBO-UHFFFAOYSA-N
MW354.36 g/mol
LogP4.87
Rot. Bonds4

About methyl 3-[[6-(2,4-difluorophenyl)-2-pyridinyl]amino]-4-methylbenzoate

methyl 3-[[6-(2,4-difluorophenyl)-2-pyridinyl]amino]-4-methylbenzoate (PubChem CID 67772794) has the molecular formula C20H16F2N2O2 and a molecular weight of 354.36 g/mol. Its IUPAC name is methyl 3-[[6-(2,4-difluorophenyl)-2-pyridinyl]amino]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[6-(2,4-difluorophenyl)-2-pyridinyl]amino]-4-methylbenzoate
PubChem CID67772794
Molecular FormulaC20H16F2N2O2
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Namemethyl 3-[[6-(2,4-difluorophenyl)-2-pyridinyl]amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(Nc2cccc(-c3ccc(F)cc3F)n2)c1
InChIInChI=1S/C20H16F2N2O2/c1-12-6-7-13(20(25)26-2)10-18(12)24-19-5-3-4-17(23-19)15-9-8-14(21)11-16(15)22/h3-11H,1-2H3,(H,23,24)
InChIKeyPRIWWVAPILBDBO-UHFFFAOYSA-N
XLogP4.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-(5-carbamoyl-2-methylanilino)pyridine-2-carboxylate
CID 170511051
methyl 3-[(6-fluoroquinolin-4-yl)amino]-4-methylbenzoate
CID 157042958
methyl 3-hydroxy-4-(6-methyl-2-pyridinyl)benzoate
CID 145449122
methyl 3-[(3-fluoro-4-methylphenyl)methylamino]-4-methylbenzoate
CID 63644860
methyl 3-[(2,6-difluorophenyl)methylamino]-4-methylbenzoate
CID 43680485
methyl 4-(2,4-difluorophenyl)-3-methylquinoline-6-carboxylate
CID 67961008
methyl 3-[(2,6-difluorophenyl)sulfonylamino]-4-methylbenzoate
CID 2648322
methyl 3-[(4-bromo-3-fluorophenyl)methylamino]-4-methylbenzoate
CID 81431750
methyl 3-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]-4-methylbenzoate
CID 17454893
methyl 3-[[2-(2,4-difluoroanilino)pyrimidin-4-yl]amino]benzoate
CID 112905912
methyl 3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]-4-methylbenzoate
CID 9104465
methyl 3-[[2-(5-fluoro-2-methylbenzoyl)oxyacetyl]amino]-4-methylbenzoate
CID 17392365

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[6-(2,4-difluorophenyl)-2-pyridinyl]amino]-4-methylbenzoate?
The IUPAC name of methyl 3-[[6-(2,4-difluorophenyl)-2-pyridinyl]amino]-4-methylbenzoate (CID 67772794) is methyl 3-[[6-(2,4-difluorophenyl)-2-pyridinyl]amino]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[[6-(2,4-difluorophenyl)-2-pyridinyl]amino]-4-methylbenzoate?
The canonical SMILES for methyl 3-[[6-(2,4-difluorophenyl)-2-pyridinyl]amino]-4-methylbenzoate is COC(=O)c1ccc(C)c(Nc2cccc(-c3ccc(F)cc3F)n2)c1.
What is the InChIKey of methyl 3-[[6-(2,4-difluorophenyl)-2-pyridinyl]amino]-4-methylbenzoate?
The InChIKey is PRIWWVAPILBDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O2/c1-12-6-7-13(20(25)26-2)10-18(12)24-19-5-3-4-17(23-19)15-9-8-14(21)11-16(15)22/h3-11H,1-2H3,(H,23,24).
What are the key properties of methyl 3-[[6-(2,4-difluorophenyl)-2-pyridinyl]amino]-4-methylbenzoate?
methyl 3-[[6-(2,4-difluorophenyl)-2-pyridinyl]amino]-4-methylbenzoate has a molecular weight of 354.36 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[6-(2,4-difluorophenyl)-2-pyridinyl]amino]-4-methylbenzoate is sourced from PubChem (CID 67772794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).