N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide;3-methyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]-N-propylbenzamide;N-methyl-2-[[2-(2-methyl-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[(3-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N,N,3-trimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide

C117H117F15N26O8 — CID 157318618

IUPACN,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide;3-methyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]-N-propylbenzamide;N-methyl-2-[[2-(2-methyl-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[(3-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N,N,3-trimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide
SMILESCCCNC(=O)c1ccc(Nc2cc(Nc3ccccc3C(=O)NC)c(C(F)(F)F)cn2)c(C)c1.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(C(=O)N(C)C)cc2C)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(C(=O)N(C)C)cn2)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCCCC3)cc2C)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ncccc2C)ncc1C(F)(F)F
InChIInChI=1S/C26H28F3N5O.C25H26F3N5O2.C24H24F3N5O2.C22H21F3N6O2.C20H18F3N5O/c1-17-14-18(34-12-6-3-7-13-34)10-11-21(17)33-24-15-23(20(16-31-24)26(27,28)29)32-22-9-5-4-8-19(22)25(35)30-2;1-4-11-30-23(34)16-9-10-19(15(2)12-16)33-22-13-21(18(14-31-22)25(26,27)28)32-20-8-6-5-7-17(20)24(35)29-3;1-14-11-15(23(34)32(3)4)9-10-18(14)31-21-12-20(17(13-29-21)24(25,26)27)30-19-8-6-5-7-16(19)22(33)28-2;1-26-20(32)14-6-4-5-7-16(14)29-17-10-19(28-12-15(17)22(23,24)25)30-18-9-8-13(11-27-18)21(33)31(2)3;1-12-6-5-9-25-18(12)28-17-10-16(14(11-26-17)20(21,22)23)27-15-8-4-3-7-13(15)19(29)24-2/h4-5,8-11,14-16H,3,6-7,12-13H2,1-2H3,(H,30,35)(H2,31,32,33);5-10,12-14H,4,11H2,1-3H3,(H,29,35)(H,30,34)(H2,31,32,33);5-13H,1-4H3,(H,28,33)(H2,29,30,31);4-12H,1-3H3,(H,26,32)(H2,27,28,29,30);3-11H,1-2H3,(H,24,29)(H2,25,26,27,28)
InChIKeyBDWYVYIIXQHLSX-UHFFFAOYSA-N
MW2300.37 g/mol
LogP25.29
Rot. Bonds31

About N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide;3-methyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]-N-propylbenzamide;N-methyl-2-[[2-(2-methyl-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[(3-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N,N,3-trimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide

N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide;3-methyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]-N-propylbenzamide;N-methyl-2-[[2-(2-methyl-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[(3-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N,N,3-trimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide (PubChem CID 157318618) has the molecular formula C117H117F15N26O8 and a molecular weight of 2300.37 g/mol. Its IUPAC name is N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide;3-methyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]-N-propylbenzamide;N-methyl-2-[[2-(2-methyl-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[(3-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N,N,3-trimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide;3-methyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]-N-propylbenzamide;N-methyl-2-[[2-(2-methyl-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[(3-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N,N,3-trimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide
PubChem CID157318618
Molecular FormulaC117H117F15N26O8
Molecular Weight2300.37 g/mol
Exact Mass2298.93
IUPAC NameN,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide;3-methyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]-N-propylbenzamide;N-methyl-2-[[2-(2-methyl-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[(3-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N,N,3-trimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide
SMILESCCCNC(=O)c1ccc(Nc2cc(Nc3ccccc3C(=O)NC)c(C(F)(F)F)cn2)c(C)c1.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(C(=O)N(C)C)cc2C)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(C(=O)N(C)C)cn2)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCCCC3)cc2C)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ncccc2C)ncc1C(F)(F)F
InChIInChI=1S/C26H28F3N5O.C25H26F3N5O2.C24H24F3N5O2.C22H21F3N6O2.C20H18F3N5O/c1-17-14-18(34-12-6-3-7-13-34)10-11-21(17)33-24-15-23(20(16-31-24)26(27,28)29)32-22-9-5-4-8-19(22)25(35)30-2;1-4-11-30-23(34)16-9-10-19(15(2)12-16)33-22-13-21(18(14-31-22)25(26,27)28)32-20-8-6-5-7-17(20)24(35)29-3;1-14-11-15(23(34)32(3)4)9-10-18(14)31-21-12-20(17(13-29-21)24(25,26)27)30-19-8-6-5-7-16(19)22(33)28-2;1-26-20(32)14-6-4-5-7-16(14)29-17-10-19(28-12-15(17)22(23,24)25)30-18-9-8-13(11-27-18)21(33)31(2)3;1-12-6-5-9-25-18(12)28-17-10-16(14(11-26-17)20(21,22)23)27-15-8-4-3-7-13(15)19(29)24-2/h4-5,8-11,14-16H,3,6-7,12-13H2,1-2H3,(H,30,35)(H2,31,32,33);5-10,12-14H,4,11H2,1-3H3,(H,29,35)(H,30,34)(H2,31,32,33);5-13H,1-4H3,(H,28,33)(H2,29,30,31);4-12H,1-3H3,(H,26,32)(H2,27,28,29,30);3-11H,1-2H3,(H,24,29)(H2,25,26,27,28)
InChIKeyBDWYVYIIXQHLSX-UHFFFAOYSA-N
XLogP25.29
TPSA428.99 Ų
H-Bond Donors16
H-Bond Acceptors26
Rotatable Bonds31
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002300.37
LogP ≤ 525.29
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide;3-methyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]-N-propylbenzamide;N-methyl-2-[[2-(2-methyl-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[(3-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N,N,3-trimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide with MolForge

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Related Compounds

Unii-zsa4DW7ldj
CID 53354771
6-[4-(1-Propanoylpiperidin-4-yl)anilino]-4-[(3-pyridin-4-ylphenyl)methylamino]pyridine-3-carboxamide
CID 67502257
6-(6-Amino-3-pyridinyl)-4-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)anilino]quinoline-3-carboxamide
CID 127035335
(6-Fluoroquinolin-3-yl)(4-(4-methyl-6-(4-(trifluoromethyl)pyridin-2-ylamino)-2,3'-bipyridin-6'-ylamino)piperidin-1-yl)methanone
CID 71003456
N-[4-methyl-3-[5-oxo-2-(4-piperazin-1-ylanilino)-7,8-dihydropyrido[4,3-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 71183455
[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(3-pyridin-4-ylphenyl)methanone
CID 119098944
[2-(4-Methylpiperazin-1-yl)phenyl]-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 119098945
(2,8-Dimethylquinolin-3-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 119098946
[2-(Dimethylamino)phenyl]-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 119098963
[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-quinolin-8-ylmethanone
CID 119098970
(6-Methylquinolin-3-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 119098976
N-[4-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]phenyl]acetamide
CID 119099004

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide;3-methyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]-N-propylbenzamide;N-methyl-2-[[2-(2-methyl-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[(3-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N,N,3-trimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide?
The IUPAC name of N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide;3-methyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]-N-propylbenzamide;N-methyl-2-[[2-(2-methyl-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[(3-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N,N,3-trimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide (CID 157318618) is N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide;3-methyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]-N-propylbenzamide;N-methyl-2-[[2-(2-methyl-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[(3-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N,N,3-trimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide;3-methyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]-N-propylbenzamide;N-methyl-2-[[2-(2-methyl-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[(3-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N,N,3-trimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide;3-methyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]-N-propylbenzamide;N-methyl-2-[[2-(2-methyl-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[(3-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N,N,3-trimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide is CCCNC(=O)c1ccc(Nc2cc(Nc3ccccc3C(=O)NC)c(C(F)(F)F)cn2)c(C)c1.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(C(=O)N(C)C)cc2C)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(C(=O)N(C)C)cn2)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCCCC3)cc2C)ncc1C(F)(F)F.CNC(=O)c1ccccc1Nc1cc(Nc2ncccc2C)ncc1C(F)(F)F.
What is the InChIKey of N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide;3-methyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]-N-propylbenzamide;N-methyl-2-[[2-(2-methyl-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[(3-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N,N,3-trimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide?
The InChIKey is BDWYVYIIXQHLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N5O.C25H26F3N5O2.C24H24F3N5O2.C22H21F3N6O2.C20H18F3N5O/c1-17-14-18(34-12-6-3-7-13-34)10-11-21(17)33-24-15-23(20(16-31-24)26(27,28)29)32-22-9-5-4-8-19(22)25(35)30-2;1-4-11-30-23(34)16-9-10-19(15(2)12-16)33-22-13-21(18(14-31-22)25(26,27)28)32-20-8-6-5-7-17(20)24(35)29-3;1-14-11-15(23(34)32(3)4)9-10-18(14)31-21-12-20(17(13-29-21)24(25,26)27)30-19-8-6-5-7-16(19)22(33)28-2;1-26-20(32)14-6-4-5-7-16(14)29-17-10-19(28-12-15(17)22(23,24)25)30-18-9-8-13(11-27-18)21(33)31(2)3;1-12-6-5-9-25-18(12)28-17-10-16(14(11-26-17)20(21,22)23)27-15-8-4-3-7-13(15)19(29)24-2/h4-5,8-11,14-16H,3,6-7,12-13H2,1-2H3,(H,30,35)(H2,31,32,33);5-10,12-14H,4,11H2,1-3H3,(H,29,35)(H,30,34)(H2,31,32,33);5-13H,1-4H3,(H,28,33)(H2,29,30,31);4-12H,1-3H3,(H,26,32)(H2,27,28,29,30);3-11H,1-2H3,(H,24,29)(H2,25,26,27,28).
What are the key properties of N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide;3-methyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]-N-propylbenzamide;N-methyl-2-[[2-(2-methyl-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[(3-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N,N,3-trimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide?
N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide;3-methyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]-N-propylbenzamide;N-methyl-2-[[2-(2-methyl-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[(3-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N,N,3-trimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide has a molecular weight of 2300.37 g/mol, XLogP of 25.29, 31 rotatable bonds, 16 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide;3-methyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]-N-propylbenzamide;N-methyl-2-[[2-(2-methyl-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N-methyl-2-[[2-[(3-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide;N,N,3-trimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide is sourced from PubChem (CID 157318618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).