2-[[2-(1,3-benzodioxol-5-ylamino)-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;methane;N-methyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide;N-methyl-2-[[2-[(2-methylidene-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-5-morpholin-4-ylbenzamide;N-methyl-2-[[2-[[5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[(4-propanoyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide

C118H116F12N26O11 — CID 159087332

IUPAC2-[[2-(1,3-benzodioxol-5-ylamino)-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;methane;N-methyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide;N-methyl-2-[[2-[(2-methylidene-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-5-morpholin-4-ylbenzamide;N-methyl-2-[[2-[[5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[(4-propanoyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
SMILESC.C=C1Cc2ccc(Nc3cc(Nc4ccc(N5CCOCC5)cc4C(=O)NC)c(C(F)(F)F)cn3)cc2C1.CCC(=O)c1ccnc(Nc2cc(Nc3ccccc3C(=O)NC)c(C(F)(F)F)cn2)c1.CNC(=O)c1ccc(Nc2cc(Nc3ccccc3C(=O)NC)c(C(F)(F)F)cn2)nc1.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(C(=O)N3CCCCC3)cn2)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccc3c(c2)OCO3)ncc1C
InChIInChI=1S/C28H28F3N5O2.C25H25F3N6O2.C22H20F3N5O2.C21H19F3N6O2.C21H20N4O3.CH4/c1-17-11-18-3-4-20(13-19(18)12-17)34-26-15-25(23(16-33-26)28(29,30)31)35-24-6-5-21(14-22(24)27(37)32-2)36-7-9-38-10-8-36;1-29-23(35)17-7-3-4-8-19(17)32-20-13-22(31-15-18(20)25(26,27)28)33-21-10-9-16(14-30-21)24(36)34-11-5-2-6-12-34;1-3-18(31)13-8-9-27-19(10-13)30-20-11-17(15(12-28-20)22(23,24)25)29-16-7-5-4-6-14(16)21(32)26-2;1-25-19(31)12-7-8-17(27-10-12)30-18-9-16(14(11-28-18)21(22,23)24)29-15-6-4-3-5-13(15)20(32)26-2;1-13-11-23-20(24-14-7-8-18-19(9-14)28-12-27-18)10-17(13)25-16-6-4-3-5-15(16)21(26)22-2;/h3-6,13-16H,1,7-12H2,2H3,(H,32,37)(H2,33,34,35);3-4,7-10,13-15H,2,5-6,11-12H2,1H3,(H,29,35)(H2,30,31,32,33);4-12H,3H2,1-2H3,(H,26,32)(H2,27,28,29,30);3-11H,1-2H3,(H,25,31)(H,26,32)(H2,27,28,29,30);3-11H,12H2,1-2H3,(H,22,26)(H2,23,24,25);1H4
InChIKeyKBPKIIRIKFPLMC-UHFFFAOYSA-N
MW2302.37 g/mol
LogP23.65
Rot. Bonds30

About 2-[[2-(1,3-benzodioxol-5-ylamino)-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;methane;N-methyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide;N-methyl-2-[[2-[(2-methylidene-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-5-morpholin-4-ylbenzamide;N-methyl-2-[[2-[[5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[(4-propanoyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide

2-[[2-(1,3-benzodioxol-5-ylamino)-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;methane;N-methyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide;N-methyl-2-[[2-[(2-methylidene-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-5-morpholin-4-ylbenzamide;N-methyl-2-[[2-[[5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[(4-propanoyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (PubChem CID 159087332) has the molecular formula C118H116F12N26O11 and a molecular weight of 2302.37 g/mol. Its IUPAC name is 2-[[2-(1,3-benzodioxol-5-ylamino)-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;methane;N-methyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide;N-methyl-2-[[2-[(2-methylidene-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-5-morpholin-4-ylbenzamide;N-methyl-2-[[2-[[5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[(4-propanoyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-(1,3-benzodioxol-5-ylamino)-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;methane;N-methyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide;N-methyl-2-[[2-[(2-methylidene-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-5-morpholin-4-ylbenzamide;N-methyl-2-[[2-[[5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[(4-propanoyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
PubChem CID159087332
Molecular FormulaC118H116F12N26O11
Molecular Weight2302.37 g/mol
Exact Mass2300.91
IUPAC Name2-[[2-(1,3-benzodioxol-5-ylamino)-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;methane;N-methyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide;N-methyl-2-[[2-[(2-methylidene-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-5-morpholin-4-ylbenzamide;N-methyl-2-[[2-[[5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[(4-propanoyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
SMILESC.C=C1Cc2ccc(Nc3cc(Nc4ccc(N5CCOCC5)cc4C(=O)NC)c(C(F)(F)F)cn3)cc2C1.CCC(=O)c1ccnc(Nc2cc(Nc3ccccc3C(=O)NC)c(C(F)(F)F)cn2)c1.CNC(=O)c1ccc(Nc2cc(Nc3ccccc3C(=O)NC)c(C(F)(F)F)cn2)nc1.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(C(=O)N3CCCCC3)cn2)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccc3c(c2)OCO3)ncc1C
InChIInChI=1S/C28H28F3N5O2.C25H25F3N6O2.C22H20F3N5O2.C21H19F3N6O2.C21H20N4O3.CH4/c1-17-11-18-3-4-20(13-19(18)12-17)34-26-15-25(23(16-33-26)28(29,30)31)35-24-6-5-21(14-22(24)27(37)32-2)36-7-9-38-10-8-36;1-29-23(35)17-7-3-4-8-19(17)32-20-13-22(31-15-18(20)25(26,27)28)33-21-10-9-16(14-30-21)24(36)34-11-5-2-6-12-34;1-3-18(31)13-8-9-27-19(10-13)30-20-11-17(15(12-28-20)22(23,24)25)29-16-7-5-4-6-14(16)21(32)26-2;1-25-19(31)12-7-8-17(27-10-12)30-18-9-16(14(11-28-18)21(22,23)24)29-15-6-4-3-5-13(15)20(32)26-2;1-13-11-23-20(24-14-7-8-18-19(9-14)28-12-27-18)10-17(13)25-16-6-4-3-5-15(16)21(26)22-2;/h3-6,13-16H,1,7-12H2,2H3,(H,32,37)(H2,33,34,35);3-4,7-10,13-15H,2,5-6,11-12H2,1H3,(H,29,35)(H2,30,31,32,33);4-12H,3H2,1-2H3,(H,26,32)(H2,27,28,29,30);3-11H,1-2H3,(H,25,31)(H,26,32)(H2,27,28,29,30);3-11H,12H2,1-2H3,(H,22,26)(H2,23,24,25);1H4
InChIKeyKBPKIIRIKFPLMC-UHFFFAOYSA-N
XLogP23.65
TPSA466.33 Ų
H-Bond Donors16
H-Bond Acceptors30
Rotatable Bonds30
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002302.37
LogP ≤ 523.65
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 2-[[2-(1,3-benzodioxol-5-ylamino)-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;methane;N-methyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide;N-methyl-2-[[2-[(2-methylidene-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-5-morpholin-4-ylbenzamide;N-methyl-2-[[2-[[5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[(4-propanoyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide with MolForge

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Related Compounds

1-(4-((2-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)carbamoyl)phenylamino)methyl)pyridin-2-yl)-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 44442411
4,5-difluoro-2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;4,5-difluoro-N-methyl-2-[[2-[(2-methylidene-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N,N-dimethyl-3-[[2-[(2-methylidene-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide;N-methyl-3-[[2-[(2-methylidene-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-4-carboxamide;N-methyl-4-[[2-[(2-methylidene-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide
CID 158257585
4-N-(4-fluoro-2-methoxyphenyl)-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;methane;1-[3-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]propan-1-one;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-(2-phenylpropan-2-yl)pyridine-2,4-diamine;N-methyl-N-[3-[[[5-methyl-2-[(2-methylidene-3H-1-benzofuran-6-yl)amino]-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-2-[[2-[4-(2-oxopropyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 158282576
4,5-difluoro-2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;4,5-difluoro-N-methyl-2-[[2-[(2-methylidene-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-3-[[2-[(2-methylidene-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide;N-methyl-3-[[2-[(2-methylidene-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-4-carboxamide;N-methyl-4-[[2-[(2-methylidene-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxamide
CID 158642015
1-[3-[[2-[3-[2-(dimethylamino)ethoxy]anilino]-5-methylpyrimidin-4-yl]amino]phenyl]-3-methylbut-2-en-1-one;N-[3-[[2-[3-[2-(dimethylamino)ethoxy]anilino]-5-methylpyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-[(3R)-oxolan-3-yl]oxyanilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;3-methyl-1-[3-[[5-methyl-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]but-2-en-1-one;N-[3-[[5-methyl-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 158650901
2-[[2-(1,3-benzodioxol-5-ylamino)-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-2-[[5-methyl-2-[(1-methyl-2-methylidene-3H-indol-5-yl)amino]-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-inden-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-isoindol-5-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 159279723
2-[[2-[[3-[3-(dimethylamino)-3-oxoprop-1-en-2-yl]-1H-inden-5-yl]amino]-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;4-N-(4-fluoro-2-methoxyphenyl)-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;1-[3-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]propan-1-one;N-methyl-N-[3-[[[5-methyl-2-[(2-methylidene-3H-1-benzofuran-6-yl)amino]-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-2-[[2-[4-(2-oxopropyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 159459986
2-[[2-(2-fluoro-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;methane;2-[[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;1-[2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]ethanone;N-methyl-2-[[2-[(2-methylidene-3H-1-benzofuran-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(2-methyl-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 160107028
4-N-(1,3-benzodioxol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one;1-[3-[[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanone;2-N-(4-dimethylphosphorylphenyl)-4-N-(3-methylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 160599110
4-N-(1,3-benzodioxol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one;1-[3-[[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanone;2-N-(4-dimethylphosphorylphenyl)-4-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 160729995
3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(3,4-dimethylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)propanamide;2-[3-(4-tert-butylphenyl)propanoylamino]benzamide;3-[3-(4-tert-butylphenyl)propanoylamino]benzamide;3-(4-tert-butylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide;N-(1H-indol-5-yl)-3-[2-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 161044887
1-[4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]ethanone;1-[(2S,4R)-4-(1,3-benzodioxol-5-ylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 2-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-(pyrimidin-5-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 162000821

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,3-benzodioxol-5-ylamino)-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;methane;N-methyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide;N-methyl-2-[[2-[(2-methylidene-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-5-morpholin-4-ylbenzamide;N-methyl-2-[[2-[[5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[(4-propanoyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The IUPAC name of 2-[[2-(1,3-benzodioxol-5-ylamino)-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;methane;N-methyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide;N-methyl-2-[[2-[(2-methylidene-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-5-morpholin-4-ylbenzamide;N-methyl-2-[[2-[[5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[(4-propanoyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (CID 159087332) is 2-[[2-(1,3-benzodioxol-5-ylamino)-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;methane;N-methyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide;N-methyl-2-[[2-[(2-methylidene-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-5-morpholin-4-ylbenzamide;N-methyl-2-[[2-[[5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[(4-propanoyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.
What is the SMILES notation for 2-[[2-(1,3-benzodioxol-5-ylamino)-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;methane;N-methyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide;N-methyl-2-[[2-[(2-methylidene-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-5-morpholin-4-ylbenzamide;N-methyl-2-[[2-[[5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[(4-propanoyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The canonical SMILES for 2-[[2-(1,3-benzodioxol-5-ylamino)-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;methane;N-methyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide;N-methyl-2-[[2-[(2-methylidene-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-5-morpholin-4-ylbenzamide;N-methyl-2-[[2-[[5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[(4-propanoyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is C.C=C1Cc2ccc(Nc3cc(Nc4ccc(N5CCOCC5)cc4C(=O)NC)c(C(F)(F)F)cn3)cc2C1.CCC(=O)c1ccnc(Nc2cc(Nc3ccccc3C(=O)NC)c(C(F)(F)F)cn2)c1.CNC(=O)c1ccc(Nc2cc(Nc3ccccc3C(=O)NC)c(C(F)(F)F)cn2)nc1.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(C(=O)N3CCCCC3)cn2)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccc3c(c2)OCO3)ncc1C.
What is the InChIKey of 2-[[2-(1,3-benzodioxol-5-ylamino)-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;methane;N-methyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide;N-methyl-2-[[2-[(2-methylidene-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-5-morpholin-4-ylbenzamide;N-methyl-2-[[2-[[5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[(4-propanoyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The InChIKey is KBPKIIRIKFPLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3N5O2.C25H25F3N6O2.C22H20F3N5O2.C21H19F3N6O2.C21H20N4O3.CH4/c1-17-11-18-3-4-20(13-19(18)12-17)34-26-15-25(23(16-33-26)28(29,30)31)35-24-6-5-21(14-22(24)27(37)32-2)36-7-9-38-10-8-36;1-29-23(35)17-7-3-4-8-19(17)32-20-13-22(31-15-18(20)25(26,27)28)33-21-10-9-16(14-30-21)24(36)34-11-5-2-6-12-34;1-3-18(31)13-8-9-27-19(10-13)30-20-11-17(15(12-28-20)22(23,24)25)29-16-7-5-4-6-14(16)21(32)26-2;1-25-19(31)12-7-8-17(27-10-12)30-18-9-16(14(11-28-18)21(22,23)24)29-15-6-4-3-5-13(15)20(32)26-2;1-13-11-23-20(24-14-7-8-18-19(9-14)28-12-27-18)10-17(13)25-16-6-4-3-5-15(16)21(26)22-2;/h3-6,13-16H,1,7-12H2,2H3,(H,32,37)(H2,33,34,35);3-4,7-10,13-15H,2,5-6,11-12H2,1H3,(H,29,35)(H2,30,31,32,33);4-12H,3H2,1-2H3,(H,26,32)(H2,27,28,29,30);3-11H,1-2H3,(H,25,31)(H,26,32)(H2,27,28,29,30);3-11H,12H2,1-2H3,(H,22,26)(H2,23,24,25);1H4.
What are the key properties of 2-[[2-(1,3-benzodioxol-5-ylamino)-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;methane;N-methyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide;N-methyl-2-[[2-[(2-methylidene-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-5-morpholin-4-ylbenzamide;N-methyl-2-[[2-[[5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[(4-propanoyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
2-[[2-(1,3-benzodioxol-5-ylamino)-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;methane;N-methyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide;N-methyl-2-[[2-[(2-methylidene-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-5-morpholin-4-ylbenzamide;N-methyl-2-[[2-[[5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[(4-propanoyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide has a molecular weight of 2302.37 g/mol, XLogP of 23.65, 30 rotatable bonds, 16 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,3-benzodioxol-5-ylamino)-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;methane;N-methyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide;N-methyl-2-[[2-[(2-methylidene-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-5-morpholin-4-ylbenzamide;N-methyl-2-[[2-[[5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[(4-propanoyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is sourced from PubChem (CID 159087332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).