N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,6-dimethylmorpholine-4-carboximidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(3-methoxypropyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(2,2,2-trifluoroethyl)carbamimidoyl]benzamide

C93H85Cl4F3N18O6 — CID 157269289

IUPACN-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,6-dimethylmorpholine-4-carboximidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(3-methoxypropyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(2,2,2-trifluoroethyl)carbamimidoyl]benzamide
SMILESCOCCC/N=C(\N)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.N/C(=N\CC(F)(F)F)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.N/C(=N\CCc1cnc[nH]1)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1)N1CC(C)OC(C)C1
InChIInChI=1S/C25H25ClN4O2.C24H21ClN6O.C23H23ClN4O2.C21H16ClF3N4O/c1-16-14-30(15-17(2)32-16)24(27)18-6-8-19(9-7-18)25(31)29-20-10-11-22(26)21(13-20)23-5-3-4-12-28-23;25-21-9-8-18(13-20(21)22-3-1-2-11-28-22)31-24(32)17-6-4-16(5-7-17)23(26)29-12-10-19-14-27-15-30-19;1-30-14-4-13-27-22(25)16-6-8-17(9-7-16)23(29)28-18-10-11-20(24)19(15-18)21-5-2-3-12-26-21;22-17-9-8-15(11-16(17)18-3-1-2-10-27-18)29-20(30)14-6-4-13(5-7-14)19(26)28-12-21(23,24)25/h3-13,16-17,27H,14-15H2,1-2H3,(H,29,31);1-9,11,13-15H,10,12H2,(H2,26,29)(H,27,30)(H,31,32);2-3,5-12,15H,4,13-14H2,1H3,(H2,25,27)(H,28,29);1-11H,12H2,(H2,26,28)(H,29,30)/b27-24-;;;
InChIKeyAYIUDFKCAFCDIR-SFSZIWBTSA-N
MW1749.63 g/mol
LogP18.73
Rot. Bonds24

About N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,6-dimethylmorpholine-4-carboximidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(3-methoxypropyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(2,2,2-trifluoroethyl)carbamimidoyl]benzamide

N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,6-dimethylmorpholine-4-carboximidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(3-methoxypropyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(2,2,2-trifluoroethyl)carbamimidoyl]benzamide (PubChem CID 157269289) has the molecular formula C93H85Cl4F3N18O6 and a molecular weight of 1749.63 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,6-dimethylmorpholine-4-carboximidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(3-methoxypropyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(2,2,2-trifluoroethyl)carbamimidoyl]benzamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,6-dimethylmorpholine-4-carboximidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(3-methoxypropyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(2,2,2-trifluoroethyl)carbamimidoyl]benzamide
PubChem CID157269289
Molecular FormulaC93H85Cl4F3N18O6
Molecular Weight1749.63 g/mol
Exact Mass1746.56
IUPAC NameN-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,6-dimethylmorpholine-4-carboximidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(3-methoxypropyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(2,2,2-trifluoroethyl)carbamimidoyl]benzamide
SMILESCOCCC/N=C(\N)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.N/C(=N\CC(F)(F)F)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.N/C(=N\CCc1cnc[nH]1)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1)N1CC(C)OC(C)C1
InChIInChI=1S/C25H25ClN4O2.C24H21ClN6O.C23H23ClN4O2.C21H16ClF3N4O/c1-16-14-30(15-17(2)32-16)24(27)18-6-8-19(9-7-18)25(31)29-20-10-11-22(26)21(13-20)23-5-3-4-12-28-23;25-21-9-8-18(13-20(21)22-3-1-2-11-28-22)31-24(32)17-6-4-16(5-7-17)23(26)29-12-10-19-14-27-15-30-19;1-30-14-4-13-27-22(25)16-6-8-17(9-7-16)23(29)28-18-10-11-20(24)19(15-18)21-5-2-3-12-26-21;22-17-9-8-15(11-16(17)18-3-1-2-10-27-18)29-20(30)14-6-4-13(5-7-14)19(26)28-12-21(23,24)25/h3-13,16-17,27H,14-15H2,1-2H3,(H,29,31);1-9,11,13-15H,10,12H2,(H2,26,29)(H,27,30)(H,31,32);2-3,5-12,15H,4,13-14H2,1H3,(H2,25,27)(H,28,29);1-11H,12H2,(H2,26,28)(H,29,30)/b27-24-;;;
InChIKeyAYIUDFKCAFCDIR-SFSZIWBTSA-N
XLogP18.73
TPSA357.33 Ų
H-Bond Donors9
H-Bond Acceptors15
Rotatable Bonds24
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001749.63
LogP ≤ 518.73
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,6-dimethylmorpholine-4-carboximidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(3-methoxypropyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(2,2,2-trifluoroethyl)carbamimidoyl]benzamide with MolForge

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Related Compounds

US8653087, III-528
CID 68036357
N-[4-chloro-3-(1,1,2-trifluoroethyl)phenyl]-4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide
CID 68560699
N-[4-chloro-3-(2,2,2-trifluoroethyl)phenyl]-4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide
CID 68560704
N-[4-chloro-3-(1,2,2-trifluoroethyl)phenyl]-4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide
CID 68560709
N-[4-chloro-3-[2-[2-(dimethylamino)ethylamino]-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-morpholin-4-ylpyridine-4-carboxamide;N-[4-chloro-3-[2-[2-(dimethylamino)ethylamino]-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 87671281
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 145004826
5-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-methylpropylamino)pyridine-3-carboxamide;N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-morpholin-4-ylpropylamino)pyridine-3-carboxamide
CID 157054989
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-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(oxolan-2-ylmethyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(2-pyrrolidin-2-ylethyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(2,2,2-trifluoroethyl)carbamimidoyl]benzamide
CID 157161416
N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(oxolan-2-ylmethyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(2-pyrrolidin-2-ylethyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(2,2,2-trifluoroethyl)carbamimidoyl]benzamide
CID 157373555
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperazine-1-carbonyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(3H-pyrrol-4-yl)ethylamino]pyridine-3-carboxamide;2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2,2,2-trifluoroethyl)benzene-1,4-dicarboxamide
CID 157743106
2-chloro-4-(morpholine-4-carbonyl)-N-(3-quinazolin-4-ylphenyl)benzamide;6-(4-methylpiperazin-1-yl)-N-(3-quinazolin-4-ylphenyl)pyridine-3-carboxamide;2-methyl-N-(3-quinazolin-4-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide;6-morpholin-4-yl-N-(3-quinazolin-4-ylphenyl)pyridine-3-carboxamide;6-piperazin-1-yl-N-(3-quinazolin-4-ylphenyl)pyridine-3-carboxamide
CID 157915802

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,6-dimethylmorpholine-4-carboximidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(3-methoxypropyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(2,2,2-trifluoroethyl)carbamimidoyl]benzamide?
The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,6-dimethylmorpholine-4-carboximidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(3-methoxypropyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(2,2,2-trifluoroethyl)carbamimidoyl]benzamide (CID 157269289) is N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,6-dimethylmorpholine-4-carboximidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(3-methoxypropyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(2,2,2-trifluoroethyl)carbamimidoyl]benzamide.
What is the SMILES notation for N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,6-dimethylmorpholine-4-carboximidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(3-methoxypropyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(2,2,2-trifluoroethyl)carbamimidoyl]benzamide?
The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,6-dimethylmorpholine-4-carboximidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(3-methoxypropyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(2,2,2-trifluoroethyl)carbamimidoyl]benzamide is COCCC/N=C(\N)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.N/C(=N\CC(F)(F)F)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.N/C(=N\CCc1cnc[nH]1)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1)N1CC(C)OC(C)C1.
What is the InChIKey of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,6-dimethylmorpholine-4-carboximidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(3-methoxypropyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(2,2,2-trifluoroethyl)carbamimidoyl]benzamide?
The InChIKey is AYIUDFKCAFCDIR-SFSZIWBTSA-N. The full InChI is InChI=1S/C25H25ClN4O2.C24H21ClN6O.C23H23ClN4O2.C21H16ClF3N4O/c1-16-14-30(15-17(2)32-16)24(27)18-6-8-19(9-7-18)25(31)29-20-10-11-22(26)21(13-20)23-5-3-4-12-28-23;25-21-9-8-18(13-20(21)22-3-1-2-11-28-22)31-24(32)17-6-4-16(5-7-17)23(26)29-12-10-19-14-27-15-30-19;1-30-14-4-13-27-22(25)16-6-8-17(9-7-16)23(29)28-18-10-11-20(24)19(15-18)21-5-2-3-12-26-21;22-17-9-8-15(11-16(17)18-3-1-2-10-27-18)29-20(30)14-6-4-13(5-7-14)19(26)28-12-21(23,24)25/h3-13,16-17,27H,14-15H2,1-2H3,(H,29,31);1-9,11,13-15H,10,12H2,(H2,26,29)(H,27,30)(H,31,32);2-3,5-12,15H,4,13-14H2,1H3,(H2,25,27)(H,28,29);1-11H,12H2,(H2,26,28)(H,29,30)/b27-24-;;;.
What are the key properties of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,6-dimethylmorpholine-4-carboximidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(3-methoxypropyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(2,2,2-trifluoroethyl)carbamimidoyl]benzamide?
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,6-dimethylmorpholine-4-carboximidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(3-methoxypropyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(2,2,2-trifluoroethyl)carbamimidoyl]benzamide has a molecular weight of 1749.63 g/mol, XLogP of 18.73, 24 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,6-dimethylmorpholine-4-carboximidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(3-methoxypropyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(2,2,2-trifluoroethyl)carbamimidoyl]benzamide is sourced from PubChem (CID 157269289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).