N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,6-dimethylmorpholine-4-carboximidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-[2-(4H-imidazol-2-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 160513540

IUPACN-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,6-dimethylmorpholine-4-carboximidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-[2-(4H-imidazol-2-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\CCC1=NCC=N1)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;25-20-9-8-18(15-19(20)21-3-1-2-11-27-21)31-24(32)17-6-4-16(5-7-17)23(26)30-12-10-22-28-13-14-29-22;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,10,12,14H2,(H2,26,30)(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-;;;
InChIKeyQTITVLOCLDCQSO-SFSZIWBTSA-N
MW1749.63 g/mol
LogP18.64
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-(4H-imidazol-2-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-(4H-imidazol-2-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 160513540) 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-(4H-imidazol-2-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-(4H-imidazol-2-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 CID160513540
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-(4H-imidazol-2-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\CCC1=NCC=N1)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;25-20-9-8-18(15-19(20)21-3-1-2-11-27-21)31-24(32)17-6-4-16(5-7-17)23(26)30-12-10-22-28-13-14-29-22;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,10,12,14H2,(H2,26,30)(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-;;;
InChIKeyQTITVLOCLDCQSO-SFSZIWBTSA-N
XLogP18.64
TPSA353.37 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001749.63
LogP ≤ 518.64
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

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-(4H-imidazol-2-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

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-(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
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
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,5R)-3,5-dimethylpiperazin-1-yl]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 158198223
6-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-2-methylpyridine-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)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide;5,6-dichloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide
CID 158937633
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-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(2,2,2-trifluoroethyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(3H-pyrrol-4-yl)ethylamino]pyridine-3-carboxamide
CID 158952233
5-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-methylpropylamino)pyridine-3-carboxamide;6-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-2-methylpyridine-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)-6-(3-morpholin-4-ylpropylamino)pyridine-3-carboxamide
CID 159089200
N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;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
CID 159237465
2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;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)-6-(3-morpholin-4-ylpropylamino)pyridine-3-carboxamide
CID 159639738

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-(4H-imidazol-2-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-(4H-imidazol-2-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 160513540) 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-(4H-imidazol-2-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-(4H-imidazol-2-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-(4H-imidazol-2-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\CCC1=NCC=N1)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-(4H-imidazol-2-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 QTITVLOCLDCQSO-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;25-20-9-8-18(15-19(20)21-3-1-2-11-27-21)31-24(32)17-6-4-16(5-7-17)23(26)30-12-10-22-28-13-14-29-22;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,10,12,14H2,(H2,26,30)(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-(4H-imidazol-2-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-(4H-imidazol-2-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 18.64, 24 rotatable bonds, 8 hydrogen bond donors, and 16 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-(4H-imidazol-2-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 160513540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).