2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-3-hydroxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-hydroxybenzamide;N-(5-chloro-2-pyridinyl)-3-hydroxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide

C68H58Cl3N11O9 — CID 157266221

IUPAC2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-3-hydroxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-hydroxybenzamide;N-(5-chloro-2-pyridinyl)-3-hydroxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Cc2c(O)cccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCC1.[H]/N=C(\C)c1ccc(C(=O)Cc2c(O)cccc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(\N)c1ccc(C(=O)Cc2c(O)cccc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C25H23ClN4O3.C22H18ClN3O3.C21H17ClN4O3/c26-18-10-11-23(28-15-18)29-25(33)19-4-3-5-21(31)20(19)14-22(32)16-6-8-17(9-7-16)24(27)30-12-1-2-13-30;1-13(24)14-5-7-15(8-6-14)20(28)11-18-17(3-2-4-19(18)27)22(29)26-21-10-9-16(23)12-25-21;22-14-8-9-19(25-11-14)26-21(29)15-2-1-3-17(27)16(15)10-18(28)12-4-6-13(7-5-12)20(23)24/h3-11,15,27,31H,1-2,12-14H2,(H,28,29,33);2-10,12,24,27H,11H2,1H3,(H,25,26,29);1-9,11,27H,10H2,(H3,23,24)(H,25,26,29)/b27-24-;24-13+;
InChIKeyAYAJGUURXROXPM-HCQITBAZSA-N
MW1279.64 g/mol
LogP12.45
Rot. Bonds18

About 2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-3-hydroxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-hydroxybenzamide;N-(5-chloro-2-pyridinyl)-3-hydroxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide

2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-3-hydroxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-hydroxybenzamide;N-(5-chloro-2-pyridinyl)-3-hydroxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide (PubChem CID 157266221) has the molecular formula C68H58Cl3N11O9 and a molecular weight of 1279.64 g/mol. Its IUPAC name is 2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-3-hydroxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-hydroxybenzamide;N-(5-chloro-2-pyridinyl)-3-hydroxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-3-hydroxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-hydroxybenzamide;N-(5-chloro-2-pyridinyl)-3-hydroxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide
PubChem CID157266221
Molecular FormulaC68H58Cl3N11O9
Molecular Weight1279.64 g/mol
Exact Mass1277.35
IUPAC Name2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-3-hydroxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-hydroxybenzamide;N-(5-chloro-2-pyridinyl)-3-hydroxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Cc2c(O)cccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCC1.[H]/N=C(\C)c1ccc(C(=O)Cc2c(O)cccc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(\N)c1ccc(C(=O)Cc2c(O)cccc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C25H23ClN4O3.C22H18ClN3O3.C21H17ClN4O3/c26-18-10-11-23(28-15-18)29-25(33)19-4-3-5-21(31)20(19)14-22(32)16-6-8-17(9-7-16)24(27)30-12-1-2-13-30;1-13(24)14-5-7-15(8-6-14)20(28)11-18-17(3-2-4-19(18)27)22(29)26-21-10-9-16(23)12-25-21;22-14-8-9-19(25-11-14)26-21(29)15-2-1-3-17(27)16(15)10-18(28)12-4-6-13(7-5-12)20(23)24/h3-11,15,27,31H,1-2,12-14H2,(H,28,29,33);2-10,12,24,27H,11H2,1H3,(H,25,26,29);1-9,11,27H,10H2,(H3,23,24)(H,25,26,29)/b27-24-;24-13+;
InChIKeyAYAJGUURXROXPM-HCQITBAZSA-N
XLogP12.45
TPSA338.68 Ų
H-Bond Donors10
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms91
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001279.64
LogP ≤ 512.45
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-3-hydroxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-hydroxybenzamide;N-(5-chloro-2-pyridinyl)-3-hydroxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide with MolForge

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Related Compounds

2-[2-[4-(azepane-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)benzamide;2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(N'-cyclopentylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide
CID 158769456
5-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-5-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-1-methylpyrazole-4-carboxamide
CID 159355650
5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-hydroxybenzamide
CID 148756430
2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide
CID 157462733
N-(5-chloro-2-pyridinyl)-5-(dimethylamino)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide
CID 159566547
2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)benzamide;methane
CID 159242474
N-(5-chloro-2-pyridinyl)-5-(dimethylamino)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;methane
CID 162097607
N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)anilino]methyl]benzamide;methane
CID 160520067
N-(5-chloro-2-pyridinyl)-5-morpholin-4-yl-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide
CID 159323440
5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;methane
CID 161013307
5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]-3-methoxybenzamide;methane
CID 158673268
N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 18728187

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-3-hydroxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-hydroxybenzamide;N-(5-chloro-2-pyridinyl)-3-hydroxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide?
The IUPAC name of 2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-3-hydroxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-hydroxybenzamide;N-(5-chloro-2-pyridinyl)-3-hydroxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide (CID 157266221) is 2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-3-hydroxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-hydroxybenzamide;N-(5-chloro-2-pyridinyl)-3-hydroxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-3-hydroxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-hydroxybenzamide;N-(5-chloro-2-pyridinyl)-3-hydroxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide?
The canonical SMILES for 2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-3-hydroxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-hydroxybenzamide;N-(5-chloro-2-pyridinyl)-3-hydroxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide is [H]/N=C(/c1ccc(C(=O)Cc2c(O)cccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCC1.[H]/N=C(\C)c1ccc(C(=O)Cc2c(O)cccc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(\N)c1ccc(C(=O)Cc2c(O)cccc2C(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of 2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-3-hydroxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-hydroxybenzamide;N-(5-chloro-2-pyridinyl)-3-hydroxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide?
The InChIKey is AYAJGUURXROXPM-HCQITBAZSA-N. The full InChI is InChI=1S/C25H23ClN4O3.C22H18ClN3O3.C21H17ClN4O3/c26-18-10-11-23(28-15-18)29-25(33)19-4-3-5-21(31)20(19)14-22(32)16-6-8-17(9-7-16)24(27)30-12-1-2-13-30;1-13(24)14-5-7-15(8-6-14)20(28)11-18-17(3-2-4-19(18)27)22(29)26-21-10-9-16(23)12-25-21;22-14-8-9-19(25-11-14)26-21(29)15-2-1-3-17(27)16(15)10-18(28)12-4-6-13(7-5-12)20(23)24/h3-11,15,27,31H,1-2,12-14H2,(H,28,29,33);2-10,12,24,27H,11H2,1H3,(H,25,26,29);1-9,11,27H,10H2,(H3,23,24)(H,25,26,29)/b27-24-;24-13+;.
What are the key properties of 2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-3-hydroxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-hydroxybenzamide;N-(5-chloro-2-pyridinyl)-3-hydroxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide?
2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-3-hydroxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-hydroxybenzamide;N-(5-chloro-2-pyridinyl)-3-hydroxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide has a molecular weight of 1279.64 g/mol, XLogP of 12.45, 18 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-3-hydroxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-hydroxybenzamide;N-(5-chloro-2-pyridinyl)-3-hydroxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 157266221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).