N-[3-(6-chloro-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(cyclopropylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(ethylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-2-oxo-1H-pyridin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(propan-2-ylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide

C136H105ClF18N22O7 — CID 161259419

IUPACN-[3-(6-chloro-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(cyclopropylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(ethylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-2-oxo-1H-pyridin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(propan-2-ylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
SMILESCCNc1ncc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)cc1C#N.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(C#N)c[nH]c1=O.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(Cl)c(C#N)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(N(C)C)c(C#N)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(NC(C)C)c(C#N)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(NC2CC2)c(C#N)c1
InChIInChI=1S/C24H19F3N4O.C24H21F3N4O.2C23H19F3N4O.C21H13ClF3N3O.C21H14F3N3O2/c1-14-5-6-20(31-23(32)15-3-2-4-18(10-15)24(25,26)27)11-21(14)17-9-16(12-28)22(29-13-17)30-19-7-8-19;1-14(2)30-22-17(12-28)9-18(13-29-22)21-11-20(8-7-15(21)3)31-23(32)16-5-4-6-19(10-16)24(25,26)27;1-14-7-8-19(29-22(31)15-5-4-6-18(10-15)23(24,25)26)11-20(14)17-9-16(12-27)21(28-13-17)30(2)3;1-3-28-21-16(12-27)9-17(13-29-21)20-11-19(8-7-14(20)2)30-22(31)15-5-4-6-18(10-15)23(24,25)26;1-12-5-6-17(9-18(12)15-7-14(10-26)19(22)27-11-15)28-20(29)13-3-2-4-16(8-13)21(23,24)25;1-12-5-6-16(9-17(12)18-7-13(10-25)11-26-20(18)29)27-19(28)14-3-2-4-15(8-14)21(22,23)24/h2-6,9-11,13,19H,7-8H2,1H3,(H,29,30)(H,31,32);4-11,13-14H,1-3H3,(H,29,30)(H,31,32);4-11,13H,1-3H3,(H,29,31);4-11,13H,3H2,1-2H3,(H,28,29)(H,30,31);2-9,11H,1H3,(H,28,29);2-9,11H,1H3,(H,26,29)(H,27,28)
InChIKeyVCIXUYFHXCESLP-UHFFFAOYSA-N
MW2536.90 g/mol
LogP33.04
Rot. Bonds25

About N-[3-(6-chloro-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(cyclopropylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(ethylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-2-oxo-1H-pyridin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(propan-2-ylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide

N-[3-(6-chloro-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(cyclopropylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(ethylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-2-oxo-1H-pyridin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(propan-2-ylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide (PubChem CID 161259419) has the molecular formula C136H105ClF18N22O7 and a molecular weight of 2536.90 g/mol. Its IUPAC name is N-[3-(6-chloro-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(cyclopropylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(ethylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-2-oxo-1H-pyridin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(propan-2-ylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(6-chloro-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(cyclopropylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(ethylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-2-oxo-1H-pyridin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(propan-2-ylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
PubChem CID161259419
Molecular FormulaC136H105ClF18N22O7
Molecular Weight2536.90 g/mol
Exact Mass2534.79
IUPAC NameN-[3-(6-chloro-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(cyclopropylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(ethylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-2-oxo-1H-pyridin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(propan-2-ylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
SMILESCCNc1ncc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)cc1C#N.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(C#N)c[nH]c1=O.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(Cl)c(C#N)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(N(C)C)c(C#N)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(NC(C)C)c(C#N)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(NC2CC2)c(C#N)c1
InChIInChI=1S/C24H19F3N4O.C24H21F3N4O.2C23H19F3N4O.C21H13ClF3N3O.C21H14F3N3O2/c1-14-5-6-20(31-23(32)15-3-2-4-18(10-15)24(25,26)27)11-21(14)17-9-16(12-28)22(29-13-17)30-19-7-8-19;1-14(2)30-22-17(12-28)9-18(13-29-22)21-11-20(8-7-15(21)3)31-23(32)16-5-4-6-19(10-16)24(25,26)27;1-14-7-8-19(29-22(31)15-5-4-6-18(10-15)23(24,25)26)11-20(14)17-9-16(12-27)21(28-13-17)30(2)3;1-3-28-21-16(12-27)9-17(13-29-21)20-11-19(8-7-14(20)2)30-22(31)15-5-4-6-18(10-15)23(24,25)26;1-12-5-6-17(9-18(12)15-7-14(10-26)19(22)27-11-15)28-20(29)13-3-2-4-16(8-13)21(23,24)25;1-12-5-6-16(9-17(12)18-7-13(10-25)11-26-20(18)29)27-19(28)14-3-2-4-15(8-14)21(22,23)24/h2-6,9-11,13,19H,7-8H2,1H3,(H,29,30)(H,31,32);4-11,13-14H,1-3H3,(H,29,30)(H,31,32);4-11,13H,1-3H3,(H,29,31);4-11,13H,3H2,1-2H3,(H,28,29)(H,30,31);2-9,11H,1H3,(H,28,29);2-9,11H,1H3,(H,26,29)(H,27,28)
InChIKeyVCIXUYFHXCESLP-UHFFFAOYSA-N
XLogP33.04
TPSA453.98 Ų
H-Bond Donors10
H-Bond Acceptors22
Rotatable Bonds25
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002536.90
LogP ≤ 533.04
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze N-[3-(6-chloro-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(cyclopropylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(ethylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-2-oxo-1H-pyridin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(propan-2-ylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide with MolForge

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Related Compounds

N-[1-[[6-[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-fluoro-2-methyl-3-pyridin-3-ylbenzamide
CID 90076728
N-[1-[5-[[4-[(4-chloro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-2,4-difluoro-3-pyridin-3-ylbenzamide
CID 118154820
5-[3-Cyano-4-[4-[[5-[4-(2-cyanophenyl)piperazine-1-carbonyl]-2,4-difluorophenyl]methyl]piperazin-1-yl]phenyl]-2-[4-[5-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-2,4-difluorobenzoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 134514054
N-[4-[[4-[2-[2-[2-(3-amino-6-chloroisoquinolin-4-yl)ethynyl]-4-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]ethyl]piperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-3-[2-(1-aminoisoquinolin-4-yl)ethynyl]-4-methylbenzamide
CID 138724565
2-[1-[4-[(Z)-3-[(3S,5S)-4-[7-(2-amino-6-fluorophenyl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3,5-dimethylpiperazin-1-yl]-3-oxoprop-1-enyl]-2-propan-2-ylphenyl]-6-chloro-4-[(2S)-4-[(Z)-3-[5-[4-[(2S,6S)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]-4-methyl-6-propan-2-yl-2-pyridinyl]prop-2-enoyl]-2-methylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorobenzonitrile
CID 146254472
3-(3-Chloro-4-fluorophenyl)-1-[1-[1-(dimethylamino)isoquinolin-4-yl]ethyl]-1-methylurea;3-(3-chloro-4-fluorophenyl)-1-methyl-1-[1-[1-(methylamino)isoquinolin-4-yl]ethyl]urea;3-(4-fluorophenyl)-1-(2-methylpropyl)-1-[1-[1-oxo-2-(2,2,2-trifluoroethyl)isoquinolin-4-yl]ethyl]urea
CID 154929455
N-[4-chloro-3-(5-fluoro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-phenyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide
CID 157120967
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
4-[5-(1-acetamidoethyl)-3-chloro-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-(1-acetamidoethyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-(acetamidomethyl)-3-chloro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-(acetamidomethyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-(2-amino-2-oxoethyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(ethylamino)-2-oxoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 157567710
6-amino-1-methyl-3,4-dihydroquinolin-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N,N-dimethylbenzamide;bis(N,N-dimethyl-2-[[2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);methane
CID 157594163
6-amino-1-methyl-3,4-dihydroquinolin-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N,N-dimethylbenzamide;bis(N,N-dimethyl-2-[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide)
CID 157631140
6-amino-1-methyl-3,4-dihydroquinolin-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide)
CID 157670851

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-chloro-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(cyclopropylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(ethylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-2-oxo-1H-pyridin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(propan-2-ylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(6-chloro-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(cyclopropylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(ethylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-2-oxo-1H-pyridin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(propan-2-ylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide (CID 161259419) is N-[3-(6-chloro-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(cyclopropylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(ethylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-2-oxo-1H-pyridin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(propan-2-ylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(6-chloro-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(cyclopropylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(ethylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-2-oxo-1H-pyridin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(propan-2-ylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(6-chloro-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(cyclopropylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(ethylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-2-oxo-1H-pyridin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(propan-2-ylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide is CCNc1ncc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)cc1C#N.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(C#N)c[nH]c1=O.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(Cl)c(C#N)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(N(C)C)c(C#N)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(NC(C)C)c(C#N)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(NC2CC2)c(C#N)c1.
What is the InChIKey of N-[3-(6-chloro-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(cyclopropylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(ethylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-2-oxo-1H-pyridin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(propan-2-ylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is VCIXUYFHXCESLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O.C24H21F3N4O.2C23H19F3N4O.C21H13ClF3N3O.C21H14F3N3O2/c1-14-5-6-20(31-23(32)15-3-2-4-18(10-15)24(25,26)27)11-21(14)17-9-16(12-28)22(29-13-17)30-19-7-8-19;1-14(2)30-22-17(12-28)9-18(13-29-22)21-11-20(8-7-15(21)3)31-23(32)16-5-4-6-19(10-16)24(25,26)27;1-14-7-8-19(29-22(31)15-5-4-6-18(10-15)23(24,25)26)11-20(14)17-9-16(12-27)21(28-13-17)30(2)3;1-3-28-21-16(12-27)9-17(13-29-21)20-11-19(8-7-14(20)2)30-22(31)15-5-4-6-18(10-15)23(24,25)26;1-12-5-6-17(9-18(12)15-7-14(10-26)19(22)27-11-15)28-20(29)13-3-2-4-16(8-13)21(23,24)25;1-12-5-6-16(9-17(12)18-7-13(10-25)11-26-20(18)29)27-19(28)14-3-2-4-15(8-14)21(22,23)24/h2-6,9-11,13,19H,7-8H2,1H3,(H,29,30)(H,31,32);4-11,13-14H,1-3H3,(H,29,30)(H,31,32);4-11,13H,1-3H3,(H,29,31);4-11,13H,3H2,1-2H3,(H,28,29)(H,30,31);2-9,11H,1H3,(H,28,29);2-9,11H,1H3,(H,26,29)(H,27,28).
What are the key properties of N-[3-(6-chloro-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(cyclopropylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(ethylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-2-oxo-1H-pyridin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(propan-2-ylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide?
N-[3-(6-chloro-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(cyclopropylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(ethylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-2-oxo-1H-pyridin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(propan-2-ylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 2536.90 g/mol, XLogP of 33.04, 25 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-chloro-5-cyano-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(cyclopropylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(ethylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(5-cyano-2-oxo-1H-pyridin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(propan-2-ylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 161259419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).