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;trichloromethyl acetate

C40H25Cl3F8N6O6 — CID 159091362

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;trichloromethyl acetate
SMILESCC(=O)OC(Cl)(Cl)Cl.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/C19H12F4N4O2.C18H10F4N2O2.C3H3Cl3O2/c20-9-4-5-10(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;1-2(7)8-3(4,5)6/h1-8H,(H2,24,28)(H2,25,29);1-8H,(H,23,24)(H,25,26);1H3
InChIKeyKCCGPADYJABZOL-UHFFFAOYSA-N
MW944.02 g/mol
LogP10.24
Rot. Bonds8

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;trichloromethyl acetate

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;trichloromethyl acetate (PubChem CID 159091362) has the molecular formula C40H25Cl3F8N6O6 and a molecular weight of 944.02 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;trichloromethyl acetate.

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;trichloromethyl acetate
PubChem CID159091362
Molecular FormulaC40H25Cl3F8N6O6
Molecular Weight944.02 g/mol
Exact Mass942.08
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;trichloromethyl acetate
SMILESCC(=O)OC(Cl)(Cl)Cl.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/C19H12F4N4O2.C18H10F4N2O2.C3H3Cl3O2/c20-9-4-5-10(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;1-2(7)8-3(4,5)6/h1-8H,(H2,24,28)(H2,25,29);1-8H,(H,23,24)(H,25,26);1H3
InChIKeyKCCGPADYJABZOL-UHFFFAOYSA-N
XLogP10.24
TPSA190.83 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500944.02
LogP ≤ 510.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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;trichloromethyl acetate with MolForge

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Related Compounds

methyl 6-(N-carbamoyl-2,6-difluoroanilino)-2-(4-fluorophenyl)pyridine-3-carboxylate
CID 21062885
2-(2,4-Difluorophenyl)-6-(2,6-difluorophenylamino)nicotinic acid
CID 21939656
ethyl 6-(N-carbamoyl-2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylate
CID 58223566
6-(2,6-Difluoroanilino)-2-(2-fluoro-4-methylphenyl)pyridine-3-carboxylic acid
CID 59488739
6-[2,6-difluoro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-2-(2,4-difluorophenyl)pyridine-3-carboxylic acid
CID 141276724
6-[(2,6-Difluorocyclohexa-1,5-dien-1-yl)amino]-2-(2,4-difluorophenyl)pyridine-3-carboxylic acid
CID 143967467
Ethyl 4-(3,4-difluoroanilino)-7-methyl-2-oxo-1,5-diphenylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 144112561
2-(2,4-Difluorophenyl)-6-(2-fluoroanilino)pyridine-3-carboxylic acid
CID 10472649
6-(2,6-Difluoroanilino)-2-(4-fluorophenyl)pyridine-3-carboxylic acid
CID 21939657
2-[3-({[3-(4-Fluorophenyl)propanoyl]amino}methyl)piperidin-1-yl]-6-methylnicotinic acid
CID 131908000
6-Acetamido-2-phenylpyridine-3-carboxylic acid
CID 68503657
2-Benzamido-6-(4-methylphenyl)pyridine-3-carboxylic acid
CID 69947026

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;trichloromethyl acetate?
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;trichloromethyl acetate (CID 159091362) 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;trichloromethyl acetate.
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;trichloromethyl acetate?
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;trichloromethyl acetate is CC(=O)OC(Cl)(Cl)Cl.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;trichloromethyl acetate?
The InChIKey is KCCGPADYJABZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F4N4O2.C18H10F4N2O2.C3H3Cl3O2/c20-9-4-5-10(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;1-2(7)8-3(4,5)6/h1-8H,(H2,24,28)(H2,25,29);1-8H,(H,23,24)(H,25,26);1H3.
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;trichloromethyl acetate?
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;trichloromethyl acetate has a molecular weight of 944.02 g/mol, XLogP of 10.24, 8 rotatable bonds, 4 hydrogen bond donors, and 8 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;trichloromethyl acetate is sourced from PubChem (CID 159091362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).