4-anilino-6-(ethylcarbamoylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide;ethyl (E)-3-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]prop-2-enoate;6-(ethylcarbamoylamino)-4-(4-methoxyanilino)-N-pyridin-3-ylpyridine-3-carboxamide;6-(2-oxopentyl)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide

C91H91F3N20O11 — CID 160829058

IUPAC4-anilino-6-(ethylcarbamoylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide;ethyl (E)-3-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]prop-2-enoate;6-(ethylcarbamoylamino)-4-(4-methoxyanilino)-N-pyridin-3-ylpyridine-3-carboxamide;6-(2-oxopentyl)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide
SMILESCCCC(=O)Cc1cc(Nc2cccnc2)c(C(=O)Nc2ccccc2)cn1.CCNC(=O)Nc1cc(Nc2ccc(OC)cc2)c(C(=O)Nc2cccnc2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(/C=C/C(=O)OCC)cc2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C26H27N5O4.C22H20F3N5O2.C22H22N4O2.C21H22N6O3/c1-3-27-26(34)31-23-16-22(29-19-8-6-5-7-9-19)21(17-28-23)25(33)30-20-13-10-18(11-14-20)12-15-24(32)35-4-2;1-2-26-21(32)30-19-12-18(28-14-8-4-3-5-9-14)15(13-27-19)20(31)29-17-11-7-6-10-16(17)22(23,24)25;1-2-7-19(27)12-18-13-21(25-17-10-6-11-23-14-17)20(15-24-18)22(28)26-16-8-4-3-5-9-16;1-3-23-21(29)27-19-11-18(25-14-6-8-16(30-2)9-7-14)17(13-24-19)20(28)26-15-5-4-10-22-12-15/h5-17H,3-4H2,1-2H3,(H,30,33)(H3,27,28,29,31,34);3-13H,2H2,1H3,(H,29,31)(H3,26,27,28,30,32);3-6,8-11,13-15H,2,7,12H2,1H3,(H,24,25)(H,26,28);4-13H,3H2,1-2H3,(H,26,28)(H3,23,24,25,27,29)/b15-12+;;;
InChIKeySGODXMJSHTURAM-QLQDMIFISA-N
MW1697.85 g/mol
LogP18.04
Rot. Bonds30

About 4-anilino-6-(ethylcarbamoylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide;ethyl (E)-3-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]prop-2-enoate;6-(ethylcarbamoylamino)-4-(4-methoxyanilino)-N-pyridin-3-ylpyridine-3-carboxamide;6-(2-oxopentyl)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide

4-anilino-6-(ethylcarbamoylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide;ethyl (E)-3-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]prop-2-enoate;6-(ethylcarbamoylamino)-4-(4-methoxyanilino)-N-pyridin-3-ylpyridine-3-carboxamide;6-(2-oxopentyl)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide (PubChem CID 160829058) has the molecular formula C91H91F3N20O11 and a molecular weight of 1697.85 g/mol. Its IUPAC name is 4-anilino-6-(ethylcarbamoylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide;ethyl (E)-3-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]prop-2-enoate;6-(ethylcarbamoylamino)-4-(4-methoxyanilino)-N-pyridin-3-ylpyridine-3-carboxamide;6-(2-oxopentyl)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-anilino-6-(ethylcarbamoylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide;ethyl (E)-3-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]prop-2-enoate;6-(ethylcarbamoylamino)-4-(4-methoxyanilino)-N-pyridin-3-ylpyridine-3-carboxamide;6-(2-oxopentyl)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide
PubChem CID160829058
Molecular FormulaC91H91F3N20O11
Molecular Weight1697.85 g/mol
Exact Mass1696.71
IUPAC Name4-anilino-6-(ethylcarbamoylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide;ethyl (E)-3-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]prop-2-enoate;6-(ethylcarbamoylamino)-4-(4-methoxyanilino)-N-pyridin-3-ylpyridine-3-carboxamide;6-(2-oxopentyl)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide
SMILESCCCC(=O)Cc1cc(Nc2cccnc2)c(C(=O)Nc2ccccc2)cn1.CCNC(=O)Nc1cc(Nc2ccc(OC)cc2)c(C(=O)Nc2cccnc2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(/C=C/C(=O)OCC)cc2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C26H27N5O4.C22H20F3N5O2.C22H22N4O2.C21H22N6O3/c1-3-27-26(34)31-23-16-22(29-19-8-6-5-7-9-19)21(17-28-23)25(33)30-20-13-10-18(11-14-20)12-15-24(32)35-4-2;1-2-26-21(32)30-19-12-18(28-14-8-4-3-5-9-14)15(13-27-19)20(31)29-17-11-7-6-10-16(17)22(23,24)25;1-2-7-19(27)12-18-13-21(25-17-10-6-11-23-14-17)20(15-24-18)22(28)26-16-8-4-3-5-9-16;1-3-23-21(29)27-19-11-18(25-14-6-8-16(30-2)9-7-14)17(13-24-19)20(28)26-15-5-4-10-22-12-15/h5-17H,3-4H2,1-2H3,(H,30,33)(H3,27,28,29,31,34);3-13H,2H2,1H3,(H,29,31)(H3,26,27,28,30,32);3-6,8-11,13-15H,2,7,12H2,1H3,(H,24,25)(H,26,28);4-13H,3H2,1-2H3,(H,26,28)(H3,23,24,25,27,29)/b15-12+;;;
InChIKeySGODXMJSHTURAM-QLQDMIFISA-N
XLogP18.04
TPSA417.85 Ų
H-Bond Donors14
H-Bond Acceptors21
Rotatable Bonds30
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001697.85
LogP ≤ 518.04
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-anilino-6-(ethylcarbamoylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide;ethyl (E)-3-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]prop-2-enoate;6-(ethylcarbamoylamino)-4-(4-methoxyanilino)-N-pyridin-3-ylpyridine-3-carboxamide;6-(2-oxopentyl)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide with MolForge

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Related Compounds

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CID 87192076
N-[5-[1-[4-(1-methylpiperidin-4-yl)anilino]-8-oxo-7H-2,7-naphthyridin-3-yl]-2-pyridinyl]acetamide;8-[3-(2-morpholin-4-ylethoxy)anilino]-6-(2,2,2-trifluoroethylamino)-2H-2,7-naphthyridin-1-one
CID 87192323
6-[(2R,3R)-3-[(6-cyclopropylpyridine-3-carbonyl)amino]-2-methylpiperidin-1-yl]-2-[4-(4,4-difluorocyclohexyl)oxyanilino]pyridine-3-carboxamide
CID 124120765
3-Methyl-6-(4-piperazin-1-ylbutoxy)quinazolin-4-one;21-methyl-5-(trifluoromethyl)-15-oxa-1,8,11,20-tetrazapentacyclo[14.5.3.28,11.03,7.019,23]hexacosa-4,6,16(24),17,19(23),20-hexaen-22-one;3-propyl-6-[4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]quinazolin-4-one
CID 145310433
CID 157074174
CID 157074174
N-ethyl-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-2-methylpyrimidine-5-carboxamide;N-(2-hydroxyethyl)-2-methyl-4-[[(1S)-1-[8-(2-methyl-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carboxamide;3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-2-phenyl-8-[5-(trifluoromethoxy)-3-pyridinyl]isoquinolin-1-one;methane;8-(2-methoxy-4-pyridinyl)-3-[(1S)-1-[(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one
CID 157126534
5-(5-cyano-3-pyridinyl)-6-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[2-hydroxyethyl(methyl)amino]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[2-hydroxyethyl(methyl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[2-hydroxyethyl(methyl)amino]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 157176480
4-(2,6-dichloro-N-methylanilino)-N-[7-(methylamino)-7-oxoheptyl]benzamide;4-[di(pyrimidin-2-yl)amino]-N-[7-(methylamino)-7-oxoheptyl]benzamide;4-[di(pyrimidin-2-yl)amino]-N-(8-oxodecyl)benzamide;4-(4-methoxy-N-(4-methoxyphenyl)anilino)-N-[7-(methylamino)-7-oxoheptyl]benzamide;N-[7-(methylamino)-7-oxoheptyl]-2-(N-methylanilino)pyrimidine-5-carboxamide;N-[7-(methylamino)-7-oxoheptyl]-4-[N-methyl-2,6-di(propan-2-yl)anilino]benzamide;N-[7-(methylamino)-7-oxoheptyl]-4-[N-methyl-2-(trifluoromethyl)anilino]benzamide;N-[7-(methylamino)-7-oxoheptyl]-4-(N-phenylanilino)benzamide
CID 157406753
ethyl N-[2-[[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]propanimidate;2-ethyl-1-[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;2-[[2-(2-fluoro-4-methylphenyl)-3-pyridinyl]amino]-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 157439210
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CID 157683650
20,20-dimethyl-23-methylidene-5-(2,2,2-trifluoroethoxy)-14-oxa-2,4,6,8,18,22-hexazatetracyclo[22.2.2.210,13.13,7]hentriaconta-1(26),3,5,7(31),10(30),11,13(29),24,27-nonaene;(16S)-16,20,20-trimethyl-5-(2,2,2-trifluoroethoxy)-14-oxa-2,4,6,8,18,22,26-heptazatetracyclo[22.2.2.210,13.13,7]hentriaconta-1(26),3,5,7(31),10(30),11,13(29),24,27-nonaen-23-one;(16R)-16,20,20-trimethyl-5-(2,2,2-trifluoroethoxy)-14-oxa-2,4,6,8,18,22,26-heptazatetracyclo[22.2.2.210,13.13,7]hentriaconta-1(26),3,5,7(31),10(30),11,13(29),24,27-nonaen-23-one;16,20,20-trimethyl-5-(2,2,2-trifluoroethoxy)-14-oxa-2,4,6,8,18,22,26-heptazatetracyclo[22.2.2.210,13.13,7]hentriaconta-1(26),3,5,7(31),10(30),11,13(29),24,27-nonaen-23-one
CID 157792393
N-[3-[(1-ethylpiperidin-4-yl)amino]-1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]-3-[(1-propan-2-ylpiperidin-4-yl)amino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;methyl N-[3-[2-(dimethylamino)ethyl-[2-[3-fluoro-4-(trifluoromethyl)phenyl]acetyl]amino]-3-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methylcarbamate
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Frequently Asked Questions

What is the IUPAC name of 4-anilino-6-(ethylcarbamoylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide;ethyl (E)-3-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]prop-2-enoate;6-(ethylcarbamoylamino)-4-(4-methoxyanilino)-N-pyridin-3-ylpyridine-3-carboxamide;6-(2-oxopentyl)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide?
The IUPAC name of 4-anilino-6-(ethylcarbamoylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide;ethyl (E)-3-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]prop-2-enoate;6-(ethylcarbamoylamino)-4-(4-methoxyanilino)-N-pyridin-3-ylpyridine-3-carboxamide;6-(2-oxopentyl)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide (CID 160829058) is 4-anilino-6-(ethylcarbamoylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide;ethyl (E)-3-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]prop-2-enoate;6-(ethylcarbamoylamino)-4-(4-methoxyanilino)-N-pyridin-3-ylpyridine-3-carboxamide;6-(2-oxopentyl)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 4-anilino-6-(ethylcarbamoylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide;ethyl (E)-3-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]prop-2-enoate;6-(ethylcarbamoylamino)-4-(4-methoxyanilino)-N-pyridin-3-ylpyridine-3-carboxamide;6-(2-oxopentyl)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 4-anilino-6-(ethylcarbamoylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide;ethyl (E)-3-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]prop-2-enoate;6-(ethylcarbamoylamino)-4-(4-methoxyanilino)-N-pyridin-3-ylpyridine-3-carboxamide;6-(2-oxopentyl)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide is CCCC(=O)Cc1cc(Nc2cccnc2)c(C(=O)Nc2ccccc2)cn1.CCNC(=O)Nc1cc(Nc2ccc(OC)cc2)c(C(=O)Nc2cccnc2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(/C=C/C(=O)OCC)cc2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccccc2C(F)(F)F)cn1.
What is the InChIKey of 4-anilino-6-(ethylcarbamoylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide;ethyl (E)-3-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]prop-2-enoate;6-(ethylcarbamoylamino)-4-(4-methoxyanilino)-N-pyridin-3-ylpyridine-3-carboxamide;6-(2-oxopentyl)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide?
The InChIKey is SGODXMJSHTURAM-QLQDMIFISA-N. The full InChI is InChI=1S/C26H27N5O4.C22H20F3N5O2.C22H22N4O2.C21H22N6O3/c1-3-27-26(34)31-23-16-22(29-19-8-6-5-7-9-19)21(17-28-23)25(33)30-20-13-10-18(11-14-20)12-15-24(32)35-4-2;1-2-26-21(32)30-19-12-18(28-14-8-4-3-5-9-14)15(13-27-19)20(31)29-17-11-7-6-10-16(17)22(23,24)25;1-2-7-19(27)12-18-13-21(25-17-10-6-11-23-14-17)20(15-24-18)22(28)26-16-8-4-3-5-9-16;1-3-23-21(29)27-19-11-18(25-14-6-8-16(30-2)9-7-14)17(13-24-19)20(28)26-15-5-4-10-22-12-15/h5-17H,3-4H2,1-2H3,(H,30,33)(H3,27,28,29,31,34);3-13H,2H2,1H3,(H,29,31)(H3,26,27,28,30,32);3-6,8-11,13-15H,2,7,12H2,1H3,(H,24,25)(H,26,28);4-13H,3H2,1-2H3,(H,26,28)(H3,23,24,25,27,29)/b15-12+;;;.
What are the key properties of 4-anilino-6-(ethylcarbamoylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide;ethyl (E)-3-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]prop-2-enoate;6-(ethylcarbamoylamino)-4-(4-methoxyanilino)-N-pyridin-3-ylpyridine-3-carboxamide;6-(2-oxopentyl)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide?
4-anilino-6-(ethylcarbamoylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide;ethyl (E)-3-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]prop-2-enoate;6-(ethylcarbamoylamino)-4-(4-methoxyanilino)-N-pyridin-3-ylpyridine-3-carboxamide;6-(2-oxopentyl)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide has a molecular weight of 1697.85 g/mol, XLogP of 18.04, 30 rotatable bonds, 14 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-6-(ethylcarbamoylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide;ethyl (E)-3-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]prop-2-enoate;6-(ethylcarbamoylamino)-4-(4-methoxyanilino)-N-pyridin-3-ylpyridine-3-carboxamide;6-(2-oxopentyl)-N-phenyl-4-(pyridin-3-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 160829058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).