N-(4-chloro-3-pyridin-2-ylphenyl)-4-(N'-cyclohexylcarbamimidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(2-methoxyethyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(3-methoxypropyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carboximidoyl)benzamide

C94H93Cl4N17O6 — CID 159258212

IUPACN-(4-chloro-3-pyridin-2-ylphenyl)-4-(N'-cyclohexylcarbamimidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(2-methoxyethyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(3-methoxypropyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carboximidoyl)benzamide
SMILESCOCC/N=C(\N)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.COCCC/N=C(\N)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.N/C(=N\C1CCCCC1)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1)N1CCN(C)CC1
InChIInChI=1S/C25H25ClN4O.C24H24ClN5O.C23H23ClN4O2.C22H21ClN4O2/c26-22-14-13-20(16-21(22)23-8-4-5-15-28-23)30-25(31)18-11-9-17(10-12-18)24(27)29-19-6-2-1-3-7-19;1-29-12-14-30(15-13-29)23(26)17-5-7-18(8-6-17)24(31)28-19-9-10-21(25)20(16-19)22-4-2-3-11-27-22;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;1-29-13-12-26-21(24)15-5-7-16(8-6-15)22(28)27-17-9-10-19(23)18(14-17)20-4-2-3-11-25-20/h4-5,8-16,19H,1-3,6-7H2,(H2,27,29)(H,30,31);2-11,16,26H,12-15H2,1H3,(H,28,31);2-3,5-12,15H,4,13-14H2,1H3,(H2,25,27)(H,28,29);2-11,14H,12-13H2,1H3,(H2,24,26)(H,27,28)/b;26-23-;;
InChIKeyKWEDRRXXDDGYTB-XNNQBKDYSA-N
MW1698.70 g/mol
LogP18.32
Rot. Bonds24

About N-(4-chloro-3-pyridin-2-ylphenyl)-4-(N'-cyclohexylcarbamimidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(2-methoxyethyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(3-methoxypropyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carboximidoyl)benzamide

N-(4-chloro-3-pyridin-2-ylphenyl)-4-(N'-cyclohexylcarbamimidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(2-methoxyethyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(3-methoxypropyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carboximidoyl)benzamide (PubChem CID 159258212) has the molecular formula C94H93Cl4N17O6 and a molecular weight of 1698.70 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)-4-(N'-cyclohexylcarbamimidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(2-methoxyethyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(3-methoxypropyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carboximidoyl)benzamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridin-2-ylphenyl)-4-(N'-cyclohexylcarbamimidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(2-methoxyethyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(3-methoxypropyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carboximidoyl)benzamide
PubChem CID159258212
Molecular FormulaC94H93Cl4N17O6
Molecular Weight1698.70 g/mol
Exact Mass1695.62
IUPAC NameN-(4-chloro-3-pyridin-2-ylphenyl)-4-(N'-cyclohexylcarbamimidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(2-methoxyethyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(3-methoxypropyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carboximidoyl)benzamide
SMILESCOCC/N=C(\N)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.COCCC/N=C(\N)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.N/C(=N\C1CCCCC1)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1)N1CCN(C)CC1
InChIInChI=1S/C25H25ClN4O.C24H24ClN5O.C23H23ClN4O2.C22H21ClN4O2/c26-22-14-13-20(16-21(22)23-8-4-5-15-28-23)30-25(31)18-11-9-17(10-12-18)24(27)29-19-6-2-1-3-7-19;1-29-12-14-30(15-13-29)23(26)17-5-7-18(8-6-17)24(31)28-19-9-10-21(25)20(16-19)22-4-2-3-11-27-22;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;1-29-13-12-26-21(24)15-5-7-16(8-6-15)22(28)27-17-9-10-19(23)18(14-17)20-4-2-3-11-25-20/h4-5,8-16,19H,1-3,6-7H2,(H2,27,29)(H,30,31);2-11,16,26H,12-15H2,1H3,(H,28,31);2-3,5-12,15H,4,13-14H2,1H3,(H2,25,27)(H,28,29);2-11,14H,12-13H2,1H3,(H2,24,26)(H,27,28)/b;26-23-;;
InChIKeyKWEDRRXXDDGYTB-XNNQBKDYSA-N
XLogP18.32
TPSA331.89 Ų
H-Bond Donors8
H-Bond Acceptors15
Rotatable Bonds24
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001698.70
LogP ≤ 518.32
H-Bond Donors ≤ 58
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-(N'-cyclohexylcarbamimidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(2-methoxyethyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(3-methoxypropyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carboximidoyl)benzamide with MolForge

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Related Compounds

N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carboximidoyl)benzamide
CID 58614840
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperidine-1-carboximidoyl)benzamide
CID 58614731
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(morpholine-4-carboximidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperidine-1-carboximidoyl)benzamide
CID 161194987
N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]benzamide
CID 58614829
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfonyl)benzamide
CID 58614690
4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]benzoic acid
CID 66877887
N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylbenzamide;formaldehyde;methanol;4-methylmorpholine
CID 143831215
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methyl-2-oxopiperazin-1-yl)benzamide
CID 58614668
4-(aminomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide
CID 66877992
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 90130539
1-[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]ethyl-oxosulfanium
CID 174102017
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methylsulfonylethyl)benzamide
CID 66878311

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(N'-cyclohexylcarbamimidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(2-methoxyethyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(3-methoxypropyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carboximidoyl)benzamide?
The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(N'-cyclohexylcarbamimidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(2-methoxyethyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(3-methoxypropyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carboximidoyl)benzamide (CID 159258212) is N-(4-chloro-3-pyridin-2-ylphenyl)-4-(N'-cyclohexylcarbamimidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(2-methoxyethyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(3-methoxypropyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carboximidoyl)benzamide.
What is the SMILES notation for N-(4-chloro-3-pyridin-2-ylphenyl)-4-(N'-cyclohexylcarbamimidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(2-methoxyethyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(3-methoxypropyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carboximidoyl)benzamide?
The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)-4-(N'-cyclohexylcarbamimidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(2-methoxyethyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(3-methoxypropyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carboximidoyl)benzamide is COCC/N=C(\N)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.COCCC/N=C(\N)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.N/C(=N\C1CCCCC1)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1)N1CCN(C)CC1.
What is the InChIKey of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(N'-cyclohexylcarbamimidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(2-methoxyethyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(3-methoxypropyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carboximidoyl)benzamide?
The InChIKey is KWEDRRXXDDGYTB-XNNQBKDYSA-N. The full InChI is InChI=1S/C25H25ClN4O.C24H24ClN5O.C23H23ClN4O2.C22H21ClN4O2/c26-22-14-13-20(16-21(22)23-8-4-5-15-28-23)30-25(31)18-11-9-17(10-12-18)24(27)29-19-6-2-1-3-7-19;1-29-12-14-30(15-13-29)23(26)17-5-7-18(8-6-17)24(31)28-19-9-10-21(25)20(16-19)22-4-2-3-11-27-22;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;1-29-13-12-26-21(24)15-5-7-16(8-6-15)22(28)27-17-9-10-19(23)18(14-17)20-4-2-3-11-25-20/h4-5,8-16,19H,1-3,6-7H2,(H2,27,29)(H,30,31);2-11,16,26H,12-15H2,1H3,(H,28,31);2-3,5-12,15H,4,13-14H2,1H3,(H2,25,27)(H,28,29);2-11,14H,12-13H2,1H3,(H2,24,26)(H,27,28)/b;26-23-;;.
What are the key properties of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(N'-cyclohexylcarbamimidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(2-methoxyethyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(3-methoxypropyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carboximidoyl)benzamide?
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(N'-cyclohexylcarbamimidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(2-methoxyethyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(3-methoxypropyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carboximidoyl)benzamide has a molecular weight of 1698.70 g/mol, XLogP of 18.32, 24 rotatable bonds, 8 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-(N'-cyclohexylcarbamimidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(2-methoxyethyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-(3-methoxypropyl)carbamimidoyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carboximidoyl)benzamide is sourced from PubChem (CID 159258212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).