2-[[2-(2-methoxy-4-pyridin-3-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-2-[[2-[(3-methyl-2-methylidene-1,3-benzoxazol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(pyridin-3-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(4-pyridin-3-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(pyrimidin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide

C111H93F15N26O7 — CID 159274531

IUPAC2-[[2-(2-methoxy-4-pyridin-3-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-2-[[2-[(3-methyl-2-methylidene-1,3-benzoxazol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(pyridin-3-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(4-pyridin-3-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(pyrimidin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
SMILESC=C1Oc2cc(Nc3cc(Nc4ccccc4C(=O)NC)c(C(F)(F)F)cn3)ccc2N1C.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(-c3cccnc3)cc2)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(-c3cccnc3)cc2OC)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2cccnc2)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ncccn2)ncc1C(F)(F)F
InChIInChI=1S/C26H22F3N5O2.C25H20F3N5O.C23H20F3N5O2.C19H16F3N5O.C18H15F3N6O/c1-30-25(35)18-7-3-4-8-20(18)33-22-13-24(32-15-19(22)26(27,28)29)34-21-10-9-16(12-23(21)36-2)17-6-5-11-31-14-17;1-29-24(34)19-6-2-3-7-21(19)33-22-13-23(31-15-20(22)25(26,27)28)32-18-10-8-16(9-11-18)17-5-4-12-30-14-17;1-13-31(3)19-9-8-14(10-20(19)33-13)29-21-11-18(16(12-28-21)23(24,25)26)30-17-7-5-4-6-15(17)22(32)27-2;1-23-18(28)13-6-2-3-7-15(13)27-16-9-17(25-11-14(16)19(20,21)22)26-12-5-4-8-24-10-12;1-22-16(28)11-5-2-3-6-13(11)26-14-9-15(25-10-12(14)18(19,20)21)27-17-23-7-4-8-24-17/h3-15H,1-2H3,(H,30,35)(H2,32,33,34);2-15H,1H3,(H,29,34)(H2,31,32,33);4-12H,1H2,2-3H3,(H,27,32)(H2,28,29,30);2-11H,1H3,(H,23,28)(H2,25,26,27);2-10H,1H3,(H,22,28)(H2,23,24,25,26,27)
InChIKeyKYDBSTPBBJDAAF-UHFFFAOYSA-N
MW2188.11 g/mol
LogP25.35
Rot. Bonds28

About 2-[[2-(2-methoxy-4-pyridin-3-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-2-[[2-[(3-methyl-2-methylidene-1,3-benzoxazol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(pyridin-3-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(4-pyridin-3-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(pyrimidin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide

2-[[2-(2-methoxy-4-pyridin-3-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-2-[[2-[(3-methyl-2-methylidene-1,3-benzoxazol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(pyridin-3-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(4-pyridin-3-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(pyrimidin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (PubChem CID 159274531) has the molecular formula C111H93F15N26O7 and a molecular weight of 2188.11 g/mol. Its IUPAC name is 2-[[2-(2-methoxy-4-pyridin-3-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-2-[[2-[(3-methyl-2-methylidene-1,3-benzoxazol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(pyridin-3-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(4-pyridin-3-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(pyrimidin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-(2-methoxy-4-pyridin-3-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-2-[[2-[(3-methyl-2-methylidene-1,3-benzoxazol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(pyridin-3-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(4-pyridin-3-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(pyrimidin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
PubChem CID159274531
Molecular FormulaC111H93F15N26O7
Molecular Weight2188.11 g/mol
Exact Mass2186.75
IUPAC Name2-[[2-(2-methoxy-4-pyridin-3-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-2-[[2-[(3-methyl-2-methylidene-1,3-benzoxazol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(pyridin-3-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(4-pyridin-3-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(pyrimidin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
SMILESC=C1Oc2cc(Nc3cc(Nc4ccccc4C(=O)NC)c(C(F)(F)F)cn3)ccc2N1C.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(-c3cccnc3)cc2)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(-c3cccnc3)cc2OC)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2cccnc2)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ncccn2)ncc1C(F)(F)F
InChIInChI=1S/C26H22F3N5O2.C25H20F3N5O.C23H20F3N5O2.C19H16F3N5O.C18H15F3N6O/c1-30-25(35)18-7-3-4-8-20(18)33-22-13-24(32-15-19(22)26(27,28)29)34-21-10-9-16(12-23(21)36-2)17-6-5-11-31-14-17;1-29-24(34)19-6-2-3-7-21(19)33-22-13-23(31-15-20(22)25(26,27)28)32-18-10-8-16(9-11-18)17-5-4-12-30-14-17;1-13-31(3)19-9-8-14(10-20(19)33-13)29-21-11-18(16(12-28-21)23(24,25)26)30-17-7-5-4-6-15(17)22(32)27-2;1-23-18(28)13-6-2-3-7-15(13)27-16-9-17(25-11-14(16)19(20,21)22)26-12-5-4-8-24-10-12;1-22-16(28)11-5-2-3-6-13(11)26-14-9-15(25-10-12(14)18(19,20)21)27-17-23-7-4-8-24-17/h3-15H,1-2H3,(H,30,35)(H2,32,33,34);2-15H,1H3,(H,29,34)(H2,31,32,33);4-12H,1H2,2-3H3,(H,27,32)(H2,28,29,30);2-11H,1H3,(H,23,28)(H2,25,26,27);2-10H,1H3,(H,22,28)(H2,23,24,25,26,27)
InChIKeyKYDBSTPBBJDAAF-UHFFFAOYSA-N
XLogP25.35
TPSA416.40 Ų
H-Bond Donors15
H-Bond Acceptors28
Rotatable Bonds28
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002188.11
LogP ≤ 525.35
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1028

Analyze 2-[[2-(2-methoxy-4-pyridin-3-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-2-[[2-[(3-methyl-2-methylidene-1,3-benzoxazol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(pyridin-3-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(4-pyridin-3-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(pyrimidin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide with MolForge

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Related Compounds

4-Fluoro-2-((2-((2-methoxy-4-(1-propylpiperidin-3-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)benzamide
CID 25218600
4-fluoro-2-{[2-({2-methoxy-4-[4-(propan-2-yl)piperazin-1-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide
CID 25218603
2-{[2-({2-methoxy-4-[4-(propan-2-yl)piperazin-1-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide
CID 25218613
5-fluoro-2-{[2-({2-methoxy-4-[4-(propan-2-yl)piperazin-1-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide
CID 25218614
2,4-difluoro-6-[(2-{[4-[4-(1-methylethyl)-1-piperazinyl]-2-(methyloxy)phenyl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide
CID 25218616
4,5-difluoro-2-{[2-({2-methoxy-4-[4-(propan-2-yl)piperazin-1-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide
CID 25218617
N-(2,6-diethylphenyl)-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide
CID 122632882
2-fluoro-6-{[2-({5-fluoro-2-methoxy-4-[4-(propan-2-yl)piperazin-1-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide
CID 25218608
2,3-difluoro-6-{[2-({2-methoxy-4-[4-(propan-2-yl)piperazin-1-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide
CID 25218615
5-fluoro-2-{[2-({2-methoxy-4-[4-(propan-2-yl)piperazin-1-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-N-methylbenzamide
CID 25218619
4-fluoro-2-[(2-{[2-methoxy-4-(4-propylpiperazin-1-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide
CID 25218602
2-fluoro-6-{[2-({2-methoxy-4-[4-(propan-2-yl)piperazin-1-yl]phenyl}(methyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide
CID 25218605

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxy-4-pyridin-3-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-2-[[2-[(3-methyl-2-methylidene-1,3-benzoxazol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(pyridin-3-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(4-pyridin-3-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(pyrimidin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The IUPAC name of 2-[[2-(2-methoxy-4-pyridin-3-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-2-[[2-[(3-methyl-2-methylidene-1,3-benzoxazol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(pyridin-3-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(4-pyridin-3-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(pyrimidin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide (CID 159274531) is 2-[[2-(2-methoxy-4-pyridin-3-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-2-[[2-[(3-methyl-2-methylidene-1,3-benzoxazol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(pyridin-3-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(4-pyridin-3-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(pyrimidin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide.
What is the SMILES notation for 2-[[2-(2-methoxy-4-pyridin-3-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-2-[[2-[(3-methyl-2-methylidene-1,3-benzoxazol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(pyridin-3-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(4-pyridin-3-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(pyrimidin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The canonical SMILES for 2-[[2-(2-methoxy-4-pyridin-3-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-2-[[2-[(3-methyl-2-methylidene-1,3-benzoxazol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(pyridin-3-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(4-pyridin-3-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(pyrimidin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is C=C1Oc2cc(Nc3cc(Nc4ccccc4C(=O)NC)c(C(F)(F)F)cn3)ccc2N1C.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(-c3cccnc3)cc2)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(-c3cccnc3)cc2OC)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2cccnc2)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ncccn2)ncc1C(F)(F)F.
What is the InChIKey of 2-[[2-(2-methoxy-4-pyridin-3-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-2-[[2-[(3-methyl-2-methylidene-1,3-benzoxazol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(pyridin-3-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(4-pyridin-3-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(pyrimidin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The InChIKey is KYDBSTPBBJDAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N5O2.C25H20F3N5O.C23H20F3N5O2.C19H16F3N5O.C18H15F3N6O/c1-30-25(35)18-7-3-4-8-20(18)33-22-13-24(32-15-19(22)26(27,28)29)34-21-10-9-16(12-23(21)36-2)17-6-5-11-31-14-17;1-29-24(34)19-6-2-3-7-21(19)33-22-13-23(31-15-20(22)25(26,27)28)32-18-10-8-16(9-11-18)17-5-4-12-30-14-17;1-13-31(3)19-9-8-14(10-20(19)33-13)29-21-11-18(16(12-28-21)23(24,25)26)30-17-7-5-4-6-15(17)22(32)27-2;1-23-18(28)13-6-2-3-7-15(13)27-16-9-17(25-11-14(16)19(20,21)22)26-12-5-4-8-24-10-12;1-22-16(28)11-5-2-3-6-13(11)26-14-9-15(25-10-12(14)18(19,20)21)27-17-23-7-4-8-24-17/h3-15H,1-2H3,(H,30,35)(H2,32,33,34);2-15H,1H3,(H,29,34)(H2,31,32,33);4-12H,1H2,2-3H3,(H,27,32)(H2,28,29,30);2-11H,1H3,(H,23,28)(H2,25,26,27);2-10H,1H3,(H,22,28)(H2,23,24,25,26,27).
What are the key properties of 2-[[2-(2-methoxy-4-pyridin-3-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-2-[[2-[(3-methyl-2-methylidene-1,3-benzoxazol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(pyridin-3-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(4-pyridin-3-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(pyrimidin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
2-[[2-(2-methoxy-4-pyridin-3-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-2-[[2-[(3-methyl-2-methylidene-1,3-benzoxazol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(pyridin-3-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(4-pyridin-3-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(pyrimidin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide has a molecular weight of 2188.11 g/mol, XLogP of 25.35, 28 rotatable bonds, 15 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxy-4-pyridin-3-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;N-methyl-2-[[2-[(3-methyl-2-methylidene-1,3-benzoxazol-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(pyridin-3-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(4-pyridin-3-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-(pyrimidin-2-ylamino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide is sourced from PubChem (CID 159274531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).