tert-butyl N-(2,6-difluorophenyl)carbamate;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-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate;ethyl 6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylate

C82H59ClF16N10O10 — CID 158389796

IUPACtert-butyl N-(2,6-difluorophenyl)carbamate;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-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate;ethyl 6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylate
SMILESCC(C)(C)OC(=O)Nc1c(F)cccc1F.CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1F.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
InChIInChI=1S/C20H14F4N2O2.C19H12F4N4O2.C18H10F4N2O2.C14H10ClF2NO2.C11H13F2NO2/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;1-2-20-14(19)10-5-6-12(15)18-13(10)9-4-3-8(16)7-11(9)17;1-11(2,3)16-10(15)14-9-7(12)5-4-6-8(9)13/h3-10H,2H2,1H3,(H,25,26);1-8H,(H2,24,28)(H2,25,29);1-8H,(H,23,24)(H,25,26);3-7H,2H2,1H3;4-6H,1-3H3,(H,14,15)
InChIKeyGWUUNDCHTARGHD-UHFFFAOYSA-N
MW1683.85 g/mol
LogP20.76
Rot. Bonds17

About tert-butyl N-(2,6-difluorophenyl)carbamate;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-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate;ethyl 6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylate

tert-butyl N-(2,6-difluorophenyl)carbamate;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-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate;ethyl 6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylate (PubChem CID 158389796) has the molecular formula C82H59ClF16N10O10 and a molecular weight of 1683.85 g/mol. Its IUPAC name is tert-butyl N-(2,6-difluorophenyl)carbamate;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-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate;ethyl 6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl N-(2,6-difluorophenyl)carbamate;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-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate;ethyl 6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylate
PubChem CID158389796
Molecular FormulaC82H59ClF16N10O10
Molecular Weight1683.85 g/mol
Exact Mass1682.38
IUPAC Nametert-butyl N-(2,6-difluorophenyl)carbamate;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-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate;ethyl 6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylate
SMILESCC(C)(C)OC(=O)Nc1c(F)cccc1F.CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1F.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
InChIInChI=1S/C20H14F4N2O2.C19H12F4N4O2.C18H10F4N2O2.C14H10ClF2NO2.C11H13F2NO2/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;1-2-20-14(19)10-5-6-12(15)18-13(10)9-4-3-8(16)7-11(9)17;1-11(2,3)16-10(15)14-9-7(12)5-4-6-8(9)13/h3-10H,2H2,1H3,(H,25,26);1-8H,(H2,24,28)(H2,25,29);1-8H,(H,23,24)(H,25,26);3-7H,2H2,1H3;4-6H,1-3H3,(H,14,15)
InChIKeyGWUUNDCHTARGHD-UHFFFAOYSA-N
XLogP20.76
TPSA293.27 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms119
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001683.85
LogP ≤ 520.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze tert-butyl N-(2,6-difluorophenyl)carbamate;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-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate;ethyl 6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

magnesium;sodium;2-anilino-N-methoxy-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-anilino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2-anilino-6-(trifluoromethyl)-3-pyridinyl]ethanone;carbanide;2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid;methanolate;N-methoxymethanamine;methyl 4-[(E)-3-[2-anilino-6-(trifluoromethyl)-3-pyridinyl]-3-oxoprop-1-enyl]benzoate;methyl 4-formylbenzoate;chloride
CID 160545958
methyl 6-amino-5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carboxylate;methyl 6-amino-5-(3-ethoxy-3-oxopropyl)-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carboxylate;methyl 4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carboxylate
CID 157084961
ethyl 6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylate;ethyl 6-[2,6-difluoro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-2-(2,4-difluorophenyl)pyridine-3-carboxylate
CID 157238997
dicesium;tert-butyl N-(2,6-difluorophenyl)carbamate;ethyl 6-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate;ethyl 6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylate;hydride;oxido formate;hydrochloride
CID 157353307
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
dicesium;tert-butyl N-(2,6-difluorophenyl)carbamate;ethyl 6-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate;ethyl 6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylate;hydride;methane;oxido formate;hydrochloride
CID 157544378
Tert-butyl 3-[3-(aminomethyl)-2-pyridinyl]propanoate;tert-butyl 3-[3-[[[6-chloro-2-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbonyl]amino]methyl]-2-pyridinyl]propanoate;6-chloro-2-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxylic acid
CID 157847314
tert-butyl N-(2,6-difluorophenyl)carbamate;methane;methyl 6-chloro-2-(4-fluorophenyl)pyridine-3-carboxylate;methyl 6-(2,6-difluoroanilino)-2-(4-fluorophenyl)pyridine-3-carboxylate;methyl 6-[2,6-difluoro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-2-(4-fluorophenyl)pyridine-3-carboxylate
CID 157959876
tert-butyl N-[[3-(aminomethyl)-2-pyridinyl]methyl]carbamate;tert-butyl N-[[3-[[[6-chloro-2-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbonyl]amino]methyl]-2-pyridinyl]methyl]carbamate;6-chloro-2-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxylic acid
CID 158008323
methyl 6-(2,6-difluoroanilino)-2-(4-fluorophenyl)pyridine-3-carboxylate;methyl 6-[2,6-difluoro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-2-(4-fluorophenyl)pyridine-3-carboxylate
CID 158032072
7-Chloro-3-(2,6-difluorophenyl)-1-propan-2-yl-1,6-naphthyridin-2-one;6-chloro-4-(propan-2-ylamino)pyridine-3-carbaldehyde;[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]methanol;3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-propan-2-yl-1,6-naphthyridin-2-one;ethyl 6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;ethyl 2-(2,6-difluorophenyl)acetate;propan-2-amine
CID 158324007
N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-phenylpyridine-3-carboxamide;6-chloro-3-nitropyridin-2-amine;6-(4-fluorophenyl)-3-nitropyridin-2-amine;N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-6-phenylpyridine-3-carboxamide;methyl 6-chloropyridine-3-carboxylate;methyl 6-phenylpyridine-3-carboxylate;6-phenylpyridine-3-carboxylic acid
CID 158711979

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,6-difluorophenyl)carbamate;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-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate;ethyl 6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylate?
The IUPAC name of tert-butyl N-(2,6-difluorophenyl)carbamate;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-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate;ethyl 6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylate (CID 158389796) is tert-butyl N-(2,6-difluorophenyl)carbamate;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-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate;ethyl 6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylate.
What is the SMILES notation for tert-butyl N-(2,6-difluorophenyl)carbamate;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-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate;ethyl 6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylate?
The canonical SMILES for tert-butyl N-(2,6-difluorophenyl)carbamate;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-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate;ethyl 6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylate is CC(C)(C)OC(=O)Nc1c(F)cccc1F.CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1F.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 tert-butyl N-(2,6-difluorophenyl)carbamate;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-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate;ethyl 6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylate?
The InChIKey is GWUUNDCHTARGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N2O2.C19H12F4N4O2.C18H10F4N2O2.C14H10ClF2NO2.C11H13F2NO2/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;1-2-20-14(19)10-5-6-12(15)18-13(10)9-4-3-8(16)7-11(9)17;1-11(2,3)16-10(15)14-9-7(12)5-4-6-8(9)13/h3-10H,2H2,1H3,(H,25,26);1-8H,(H2,24,28)(H2,25,29);1-8H,(H,23,24)(H,25,26);3-7H,2H2,1H3;4-6H,1-3H3,(H,14,15).
What are the key properties of tert-butyl N-(2,6-difluorophenyl)carbamate;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-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate;ethyl 6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylate?
tert-butyl N-(2,6-difluorophenyl)carbamate;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-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate;ethyl 6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylate has a molecular weight of 1683.85 g/mol, XLogP of 20.76, 17 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,6-difluorophenyl)carbamate;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-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate;ethyl 6-(2,6-difluoroanilino)-2-(2,4-difluorophenyl)pyridine-3-carboxylate is sourced from PubChem (CID 158389796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).