methyl 6-(N-carbamoyl-2,6-difluoroanilino)-2-(4-fluorophenyl)pyridine-3-carboxylate

C20H14F3N3O3 — CID 21062885

IUPACmethyl 6-(N-carbamoyl-2,6-difluoroanilino)-2-(4-fluorophenyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1
InChIInChI=1S/C20H14F3N3O3/c1-29-19(27)13-9-10-16(25-17(13)11-5-7-12(21)8-6-11)26(20(24)28)18-14(22)3-2-4-15(18)23/h2-10H,1H3,(H2,24,28)
InChIKeyMNUQRHKURKROKL-UHFFFAOYSA-N
MW401.34 g/mol
LogP4.17
Rot. Bonds4

About methyl 6-(N-carbamoyl-2,6-difluoroanilino)-2-(4-fluorophenyl)pyridine-3-carboxylate

methyl 6-(N-carbamoyl-2,6-difluoroanilino)-2-(4-fluorophenyl)pyridine-3-carboxylate (PubChem CID 21062885) has the molecular formula C20H14F3N3O3 and a molecular weight of 401.34 g/mol. Its IUPAC name is methyl 6-(N-carbamoyl-2,6-difluoroanilino)-2-(4-fluorophenyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(N-carbamoyl-2,6-difluoroanilino)-2-(4-fluorophenyl)pyridine-3-carboxylate
PubChem CID21062885
Molecular FormulaC20H14F3N3O3
Molecular Weight401.34 g/mol
Exact Mass401.10
IUPAC Namemethyl 6-(N-carbamoyl-2,6-difluoroanilino)-2-(4-fluorophenyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1
InChIInChI=1S/C20H14F3N3O3/c1-29-19(27)13-9-10-16(25-17(13)11-5-7-12(21)8-6-11)26(20(24)28)18-14(22)3-2-4-15(18)23/h2-10H,1H3,(H2,24,28)
InChIKeyMNUQRHKURKROKL-UHFFFAOYSA-N
XLogP4.17
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.34
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(N-carbamoyl-2,6-difluoroanilino)-2-(4-fluorophenyl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(N-carbamoyl-2,6-difluoroanilino)-2-(4-fluorophenyl)pyridine-3-carboxylate (CID 21062885) is methyl 6-(N-carbamoyl-2,6-difluoroanilino)-2-(4-fluorophenyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(N-carbamoyl-2,6-difluoroanilino)-2-(4-fluorophenyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(N-carbamoyl-2,6-difluoroanilino)-2-(4-fluorophenyl)pyridine-3-carboxylate is COC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1.
What is the InChIKey of methyl 6-(N-carbamoyl-2,6-difluoroanilino)-2-(4-fluorophenyl)pyridine-3-carboxylate?
The InChIKey is MNUQRHKURKROKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O3/c1-29-19(27)13-9-10-16(25-17(13)11-5-7-12(21)8-6-11)26(20(24)28)18-14(22)3-2-4-15(18)23/h2-10H,1H3,(H2,24,28).
What are the key properties of methyl 6-(N-carbamoyl-2,6-difluoroanilino)-2-(4-fluorophenyl)pyridine-3-carboxylate?
methyl 6-(N-carbamoyl-2,6-difluoroanilino)-2-(4-fluorophenyl)pyridine-3-carboxylate has a molecular weight of 401.34 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(N-carbamoyl-2,6-difluoroanilino)-2-(4-fluorophenyl)pyridine-3-carboxylate is sourced from PubChem (CID 21062885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).