2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)-2-[[4-(N,N,N'-trimethylcarbamimidoyl)benzoyl]amino]benzamide

C71H59Cl4F6N15O9 — CID 157153394

IUPAC2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)-2-[[4-(N,N,N'-trimethylcarbamimidoyl)benzoyl]amino]benzamide
SMILESC/N=C(/c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCC1
InChIInChI=1S/C24H19ClF3N5O3.C24H21ClF3N5O3.C23H19Cl2N5O3/c25-16-6-9-20(30-13-16)32-23(35)18-12-17(36-24(26,27)28)7-8-19(18)31-22(34)15-4-2-14(3-5-15)21(29)33-10-1-11-33;1-29-21(33(2)3)14-4-6-15(7-5-14)22(34)31-19-10-9-17(36-24(26,27)28)12-18(19)23(35)32-20-11-8-16(25)13-30-20;1-33-18-11-16(25)10-17(23(32)28-19-7-6-15(24)12-27-19)20(18)29-22(31)14-4-2-13(3-5-14)21(26)30-8-9-30/h2-9,12-13,29H,1,10-11H2,(H,31,34)(H,30,32,35);4-13H,1-3H3,(H,31,34)(H,30,32,35);2-7,10-12,26H,8-9H2,1H3,(H,29,31)(H,27,28,32)/b2*29-21-;26-21-
InChIKeyALNGROIHVZZACR-JBJXNMTOSA-N
MW1522.15 g/mol
LogP14.79
Rot. Bonds18

About 2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)-2-[[4-(N,N,N'-trimethylcarbamimidoyl)benzoyl]amino]benzamide

2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)-2-[[4-(N,N,N'-trimethylcarbamimidoyl)benzoyl]amino]benzamide (PubChem CID 157153394) has the molecular formula C71H59Cl4F6N15O9 and a molecular weight of 1522.15 g/mol. Its IUPAC name is 2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)-2-[[4-(N,N,N'-trimethylcarbamimidoyl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)-2-[[4-(N,N,N'-trimethylcarbamimidoyl)benzoyl]amino]benzamide
PubChem CID157153394
Molecular FormulaC71H59Cl4F6N15O9
Molecular Weight1522.15 g/mol
Exact Mass1519.33
IUPAC Name2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)-2-[[4-(N,N,N'-trimethylcarbamimidoyl)benzoyl]amino]benzamide
SMILESC/N=C(/c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCC1
InChIInChI=1S/C24H19ClF3N5O3.C24H21ClF3N5O3.C23H19Cl2N5O3/c25-16-6-9-20(30-13-16)32-23(35)18-12-17(36-24(26,27)28)7-8-19(18)31-22(34)15-4-2-14(3-5-15)21(29)33-10-1-11-33;1-29-21(33(2)3)14-4-6-15(7-5-14)22(34)31-19-10-9-17(36-24(26,27)28)12-18(19)23(35)32-20-11-8-16(25)13-30-20;1-33-18-11-16(25)10-17(23(32)28-19-7-6-15(24)12-27-19)20(18)29-22(31)14-4-2-13(3-5-14)21(26)30-8-9-30/h2-9,12-13,29H,1,10-11H2,(H,31,34)(H,30,32,35);4-13H,1-3H3,(H,31,34)(H,30,32,35);2-7,10-12,26H,8-9H2,1H3,(H,29,31)(H,27,28,32)/b2*29-21-;26-21-
InChIKeyALNGROIHVZZACR-JBJXNMTOSA-N
XLogP14.79
TPSA310.51 Ų
H-Bond Donors8
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001522.15
LogP ≤ 514.79
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)-2-[[4-(N,N,N'-trimethylcarbamimidoyl)benzoyl]amino]benzamide with MolForge

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Related Compounds

5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide
CID 10142203
5-chloro-N-(5-chloropyridin-2-yl)-3-methoxy-2-(4-(2-oxopiperidin-1-yl)benzamido)benzamide
CID 10185995
5-chloro-N-(5-chloropyridin-2-yl)-2-(4-(N,N-dimethylcarbamimidoyl)benzamido)-3-ethoxybenzamide
CID 18727844
5-chloro-N-(5-chloropyridin-2-yl)-2-(4-(N,N-dimethylcarbamimidoyl)benzamido)-3-methoxybenzamide
CID 18727846
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)benzoyl]amino]-3-methoxybenzamide
CID 44449697
N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-6-(2-oxo-1-pyridinyl)pyridine-3-carboxamide
CID 44449700
5-chloro-N-(5-chloro-2-pyridinyl)-3-[2-(dimethylamino)ethoxy]-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide
CID 44449734
5-chloro-N-(5-chloropyridin-2-yl)-2-(4-(N,N-dimethylcarbamimidoyl)benzamido)-3-isopropoxybenzamide
CID 44565599
1-({4-[4-Chloro-2-(5-chloro-pyridin-2-ylcarbamoyl)-6-methoxy-phenylcarbamoyl]-3-fluoro-phenyl}-imino-methyl)-piperidine-4-carboxylic acid ethyl ester
CID 44419049
1-({4-[4-Chloro-2-(5-chloro-pyridin-2-ylcarbamoyl)-6-methoxy-phenylcarbamoyl]-3-fluoro-phenyl}-imino-methyl)-piperidine-4-carboxylic acid
CID 44419087
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methoxybenzamide
CID 10118628
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzoyl]amino]-3-methoxybenzamide
CID 10229005

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)-2-[[4-(N,N,N'-trimethylcarbamimidoyl)benzoyl]amino]benzamide?
The IUPAC name of 2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)-2-[[4-(N,N,N'-trimethylcarbamimidoyl)benzoyl]amino]benzamide (CID 157153394) is 2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)-2-[[4-(N,N,N'-trimethylcarbamimidoyl)benzoyl]amino]benzamide.
What is the SMILES notation for 2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)-2-[[4-(N,N,N'-trimethylcarbamimidoyl)benzoyl]amino]benzamide?
The canonical SMILES for 2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)-2-[[4-(N,N,N'-trimethylcarbamimidoyl)benzoyl]amino]benzamide is C/N=C(/c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCC1.
What is the InChIKey of 2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)-2-[[4-(N,N,N'-trimethylcarbamimidoyl)benzoyl]amino]benzamide?
The InChIKey is ALNGROIHVZZACR-JBJXNMTOSA-N. The full InChI is InChI=1S/C24H19ClF3N5O3.C24H21ClF3N5O3.C23H19Cl2N5O3/c25-16-6-9-20(30-13-16)32-23(35)18-12-17(36-24(26,27)28)7-8-19(18)31-22(34)15-4-2-14(3-5-15)21(29)33-10-1-11-33;1-29-21(33(2)3)14-4-6-15(7-5-14)22(34)31-19-10-9-17(36-24(26,27)28)12-18(19)23(35)32-20-11-8-16(25)13-30-20;1-33-18-11-16(25)10-17(23(32)28-19-7-6-15(24)12-27-19)20(18)29-22(31)14-4-2-13(3-5-14)21(26)30-8-9-30/h2-9,12-13,29H,1,10-11H2,(H,31,34)(H,30,32,35);4-13H,1-3H3,(H,31,34)(H,30,32,35);2-7,10-12,26H,8-9H2,1H3,(H,29,31)(H,27,28,32)/b2*29-21-;26-21-.
What are the key properties of 2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)-2-[[4-(N,N,N'-trimethylcarbamimidoyl)benzoyl]amino]benzamide?
2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)-2-[[4-(N,N,N'-trimethylcarbamimidoyl)benzoyl]amino]benzamide has a molecular weight of 1522.15 g/mol, XLogP of 14.79, 18 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;2-[[4-(aziridine-1-carboximidoyl)benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)-2-[[4-(N,N,N'-trimethylcarbamimidoyl)benzoyl]amino]benzamide is sourced from PubChem (CID 157153394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).