6-(N-carbamoyl-2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxamide;6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylic acid;ethyl 6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylate

C57H36F12N8O6 — CID 157495740

IUPAC6-(N-carbamoyl-2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxamide;6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylic acid;ethyl 6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Nc2c(F)cccc2F)nc1-c1ccc(F)cc1F.NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F.O=C(O)c1ccc(Nc2c(F)cccc2F)nc1-c1ccc(F)cc1F
InChIInChI=1S/C20H14F4N2O2.C19H12F4N4O2.C18H10F4N2O2/c1-2-28-20(27)13-8-9-17(26-19-14(22)4-3-5-15(19)23)25-18(13)12-7-6-11(21)10-16(12)24;20-9-4-5-10(14(23)8-9)16-11(18(24)28)6-7-15(26-16)27(19(25)29)17-12(21)2-1-3-13(17)22;19-9-4-5-10(14(22)8-9)16-11(18(25)26)6-7-15(23-16)24-17-12(20)2-1-3-13(17)21/h3-10H,2H2,1H3,(H,25,26);1-8H,(H2,24,28)(H2,25,29);1-8H,(H,23,24)(H,25,26)
InChIKeyBXUVHEGIZHAWDI-UHFFFAOYSA-N
MW1156.94 g/mol
LogP13.59
Rot. Bonds13

About 6-(N-carbamoyl-2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxamide;6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylic acid;ethyl 6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylate

6-(N-carbamoyl-2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxamide;6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylic acid;ethyl 6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylate (PubChem CID 157495740) has the molecular formula C57H36F12N8O6 and a molecular weight of 1156.94 g/mol. Its IUPAC name is 6-(N-carbamoyl-2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxamide;6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylic acid;ethyl 6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylate.

Molecular Properties

Compound Name6-(N-carbamoyl-2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxamide;6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylic acid;ethyl 6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylate
PubChem CID157495740
Molecular FormulaC57H36F12N8O6
Molecular Weight1156.94 g/mol
Exact Mass1156.26
IUPAC Name6-(N-carbamoyl-2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxamide;6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylic acid;ethyl 6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Nc2c(F)cccc2F)nc1-c1ccc(F)cc1F.NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F.O=C(O)c1ccc(Nc2c(F)cccc2F)nc1-c1ccc(F)cc1F
InChIInChI=1S/C20H14F4N2O2.C19H12F4N4O2.C18H10F4N2O2/c1-2-28-20(27)13-8-9-17(26-19-14(22)4-3-5-15(19)23)25-18(13)12-7-6-11(21)10-16(12)24;20-9-4-5-10(14(23)8-9)16-11(18(24)28)6-7-15(26-16)27(19(25)29)17-12(21)2-1-3-13(17)22;19-9-4-5-10(14(22)8-9)16-11(18(25)26)6-7-15(23-16)24-17-12(20)2-1-3-13(17)21/h3-10H,2H2,1H3,(H,25,26);1-8H,(H2,24,28)(H2,25,29);1-8H,(H,23,24)(H,25,26)
InChIKeyBXUVHEGIZHAWDI-UHFFFAOYSA-N
XLogP13.59
TPSA215.75 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001156.94
LogP ≤ 513.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 6-(N-carbamoyl-2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxamide;6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylic acid;ethyl 6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylate with MolForge

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Related Compounds

Ethyl 2-anilino-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate
CID 25110893
Ethyl 6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylate
CID 9977681
Ethyl 6-(tert-butoxycarbonyl(2,6-difluorophenyl)amino)-2-(2,4-difluorophenyl)nicotinate
CID 21062880
methyl 6-(N-carbamoyl-2,6-difluoroanilino)-2-(4-fluorophenyl)pyridine-3-carboxylate
CID 21062885
ethyl 6-(N-carbamoyl-2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylate
CID 58223566
But-3-enyl 7-ethyl-4-[[4-(3-fluorobut-1-en-2-yl)cyclohex-2-en-1-ylidene]amino]-2-oxo-1,5-diphenylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 91359628
Ethyl 2-(2,4-difluorophenyl)-6-(2-fluoro-6-methylanilino)pyridine-3-carboxylate
CID 91448277
6-[2,6-difluoro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-2-(2,4-difluorophenyl)pyridine-3-carboxylic acid
CID 141276724
Ethyl 6-(2-fluoroanilino)-2-(2-fluorophenyl)pyridine-3-carboxylate
CID 144041205
Ethyl 4-(3,4-difluoroanilino)-7-methyl-2-oxo-1,5-diphenylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 144112561
ethyl 5-[N-(2-fluorooxycarbonylphenyl)-N'-methylcarbamimidoyl]-6-[formyl-[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]-2-methyl-4-phenylpyridine-3-carboxylate
CID 144112604
Ethyl 4-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-7-methyl-2-oxo-1,5-diphenylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 144112625

Frequently Asked Questions

What is the IUPAC name of 6-(N-carbamoyl-2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxamide;6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylic acid;ethyl 6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylate?
The IUPAC name of 6-(N-carbamoyl-2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxamide;6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylic acid;ethyl 6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylate (CID 157495740) is 6-(N-carbamoyl-2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxamide;6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylic acid;ethyl 6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylate.
What is the SMILES notation for 6-(N-carbamoyl-2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxamide;6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylic acid;ethyl 6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylate?
The canonical SMILES for 6-(N-carbamoyl-2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxamide;6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylic acid;ethyl 6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylate is CCOC(=O)c1ccc(Nc2c(F)cccc2F)nc1-c1ccc(F)cc1F.NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F.O=C(O)c1ccc(Nc2c(F)cccc2F)nc1-c1ccc(F)cc1F.
What is the InChIKey of 6-(N-carbamoyl-2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxamide;6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylic acid;ethyl 6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylate?
The InChIKey is BXUVHEGIZHAWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N2O2.C19H12F4N4O2.C18H10F4N2O2/c1-2-28-20(27)13-8-9-17(26-19-14(22)4-3-5-15(19)23)25-18(13)12-7-6-11(21)10-16(12)24;20-9-4-5-10(14(23)8-9)16-11(18(24)28)6-7-15(26-16)27(19(25)29)17-12(21)2-1-3-13(17)22;19-9-4-5-10(14(22)8-9)16-11(18(25)26)6-7-15(23-16)24-17-12(20)2-1-3-13(17)21/h3-10H,2H2,1H3,(H,25,26);1-8H,(H2,24,28)(H2,25,29);1-8H,(H,23,24)(H,25,26).
What are the key properties of 6-(N-carbamoyl-2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxamide;6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylic acid;ethyl 6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylate?
6-(N-carbamoyl-2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxamide;6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylic acid;ethyl 6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylate has a molecular weight of 1156.94 g/mol, XLogP of 13.59, 13 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N-carbamoyl-2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxamide;6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylic acid;ethyl 6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylate is sourced from PubChem (CID 157495740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).