2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;2-[[4-[4-(aminomethyl)phenyl]benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide;2-[[4-(azocane-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1,4-diazepane-1-carboximidoyl)benzoyl]amino]benzamide

C105H98Cl3N19O8 — CID 158321247

IUPAC2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;2-[[4-[4-(aminomethyl)phenyl]benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide;2-[[4-(azocane-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1,4-diazepane-1-carboximidoyl)benzoyl]amino]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(-c3ccc(CN)cc3)cc2)nc1.NCc1ccccc1-c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(\c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCCCCC1.[H]/N=C(\c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCNCC1
InChIInChI=1S/C27H28ClN5O2.C27H24N4O2.C26H21ClN4O2.C25H25ClN6O2/c28-21-14-15-24(30-18-21)32-27(35)22-8-4-5-9-23(22)31-26(34)20-12-10-19(11-13-20)25(29)33-16-6-2-1-3-7-17-33;1-18-6-15-25(29-17-18)31-27(33)23-4-2-3-5-24(23)30-26(32)22-13-11-21(12-14-22)20-9-7-19(16-28)8-10-20;27-20-13-14-24(29-16-20)31-26(33)22-7-3-4-8-23(22)30-25(32)18-11-9-17(10-12-18)21-6-2-1-5-19(21)15-28;26-19-10-11-22(29-16-19)31-25(34)20-4-1-2-5-21(20)30-24(33)18-8-6-17(7-9-18)23(27)32-14-3-12-28-13-15-32/h4-5,8-15,18,29H,1-3,6-7,16-17H2,(H,31,34)(H,30,32,35);2-15,17H,16,28H2,1H3,(H,30,32)(H,29,31,33);1-14,16H,15,28H2,(H,30,32)(H,29,31,33);1-2,4-11,16,27-28H,3,12-15H2,(H,30,33)(H,29,31,34)/b29-25+;;;27-23+
InChIKeyGOWLKAQPJIBQRO-APMOKMNLSA-N
MW1860.42 g/mol
LogP20.08
Rot. Bonds22

About 2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;2-[[4-[4-(aminomethyl)phenyl]benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide;2-[[4-(azocane-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1,4-diazepane-1-carboximidoyl)benzoyl]amino]benzamide

2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;2-[[4-[4-(aminomethyl)phenyl]benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide;2-[[4-(azocane-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1,4-diazepane-1-carboximidoyl)benzoyl]amino]benzamide (PubChem CID 158321247) has the molecular formula C105H98Cl3N19O8 and a molecular weight of 1860.42 g/mol. Its IUPAC name is 2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;2-[[4-[4-(aminomethyl)phenyl]benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide;2-[[4-(azocane-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1,4-diazepane-1-carboximidoyl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;2-[[4-[4-(aminomethyl)phenyl]benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide;2-[[4-(azocane-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1,4-diazepane-1-carboximidoyl)benzoyl]amino]benzamide
PubChem CID158321247
Molecular FormulaC105H98Cl3N19O8
Molecular Weight1860.42 g/mol
Exact Mass1857.69
IUPAC Name2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;2-[[4-[4-(aminomethyl)phenyl]benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide;2-[[4-(azocane-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1,4-diazepane-1-carboximidoyl)benzoyl]amino]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(-c3ccc(CN)cc3)cc2)nc1.NCc1ccccc1-c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(\c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCCCCC1.[H]/N=C(\c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCNCC1
InChIInChI=1S/C27H28ClN5O2.C27H24N4O2.C26H21ClN4O2.C25H25ClN6O2/c28-21-14-15-24(30-18-21)32-27(35)22-8-4-5-9-23(22)31-26(34)20-12-10-19(11-13-20)25(29)33-16-6-2-1-3-7-17-33;1-18-6-15-25(29-17-18)31-27(33)23-4-2-3-5-24(23)30-26(32)22-13-11-21(12-14-22)20-9-7-19(16-28)8-10-20;27-20-13-14-24(29-16-20)31-26(33)22-7-3-4-8-23(22)30-25(32)18-11-9-17(10-12-18)21-6-2-1-5-19(21)15-28;26-19-10-11-22(29-16-19)31-25(34)20-4-1-2-5-21(20)30-24(33)18-8-6-17(7-9-18)23(27)32-14-3-12-28-13-15-32/h4-5,8-15,18,29H,1-3,6-7,16-17H2,(H,31,34)(H,30,32,35);2-15,17H,16,28H2,1H3,(H,30,32)(H,29,31,33);1-14,16H,15,28H2,(H,30,32)(H,29,31,33);1-2,4-11,16,27-28H,3,12-15H2,(H,30,33)(H,29,31,34)/b29-25+;;;27-23+
InChIKeyGOWLKAQPJIBQRO-APMOKMNLSA-N
XLogP20.08
TPSA402.61 Ų
H-Bond Donors13
H-Bond Acceptors17
Rotatable Bonds22
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001860.42
LogP ≤ 520.08
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;2-[[4-[4-(aminomethyl)phenyl]benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide;2-[[4-(azocane-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1,4-diazepane-1-carboximidoyl)benzoyl]amino]benzamide with MolForge

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Launch Full Analysis

Related Compounds

5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[2-(N,N-dimethylcarbamimidoyl)phenyl]benzoyl]amino]benzamide
CID 10075735
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[2-(4-methyl-1,4-diazepan-1-yl)phenyl]benzoyl]amino]benzamide
CID 44385447
2-[[4-[2-[(1-aminoethylideneamino)methyl]phenyl]benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide
CID 44385552
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[2-(4-methylpiperazin-1-yl)phenyl]benzoyl]amino]benzamide
CID 44385561
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(2-piperazin-1-ylphenyl)benzoyl]amino]benzamide
CID 44385953
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[2-[(dimethylamino)methyl]phenyl]benzoyl]amino]benzamide
CID 52941698
{4-[2-(Aminomethyl)phenyl]phenyl}-n-{2-[n-(5-chloro(2-pyridyl))carbamoyl]-phenyl}carboxamide
CID 18727717
N-(5-chloropyridin-2-yl)-2-(4-(imino(4-methylpiperazin-1-yl)methyl)benzamido)benzamide
CID 18727967
N-(5-chloropyridin-2-yl)-2-(4-(imino(piperazin-1-yl)methyl)benzamido)benzamide
CID 18728129
6-[bis[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]amino]-N-[8-[6-[bis[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]amino]hexanoyl-methylamino]octyl]-N-methylhexanamide
CID 16144765
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[3-(1,4-diazepan-1-yl)phenyl]benzoyl]amino]benzamide
CID 44385448
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[2-(1,4-diazepan-1-yl)phenyl]benzoyl]amino]benzamide
CID 44385449

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;2-[[4-[4-(aminomethyl)phenyl]benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide;2-[[4-(azocane-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1,4-diazepane-1-carboximidoyl)benzoyl]amino]benzamide?
The IUPAC name of 2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;2-[[4-[4-(aminomethyl)phenyl]benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide;2-[[4-(azocane-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1,4-diazepane-1-carboximidoyl)benzoyl]amino]benzamide (CID 158321247) is 2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;2-[[4-[4-(aminomethyl)phenyl]benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide;2-[[4-(azocane-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1,4-diazepane-1-carboximidoyl)benzoyl]amino]benzamide.
What is the SMILES notation for 2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;2-[[4-[4-(aminomethyl)phenyl]benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide;2-[[4-(azocane-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1,4-diazepane-1-carboximidoyl)benzoyl]amino]benzamide?
The canonical SMILES for 2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;2-[[4-[4-(aminomethyl)phenyl]benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide;2-[[4-(azocane-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1,4-diazepane-1-carboximidoyl)benzoyl]amino]benzamide is Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(-c3ccc(CN)cc3)cc2)nc1.NCc1ccccc1-c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(\c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCCCCC1.[H]/N=C(\c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCNCC1.
What is the InChIKey of 2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;2-[[4-[4-(aminomethyl)phenyl]benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide;2-[[4-(azocane-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1,4-diazepane-1-carboximidoyl)benzoyl]amino]benzamide?
The InChIKey is GOWLKAQPJIBQRO-APMOKMNLSA-N. The full InChI is InChI=1S/C27H28ClN5O2.C27H24N4O2.C26H21ClN4O2.C25H25ClN6O2/c28-21-14-15-24(30-18-21)32-27(35)22-8-4-5-9-23(22)31-26(34)20-12-10-19(11-13-20)25(29)33-16-6-2-1-3-7-17-33;1-18-6-15-25(29-17-18)31-27(33)23-4-2-3-5-24(23)30-26(32)22-13-11-21(12-14-22)20-9-7-19(16-28)8-10-20;27-20-13-14-24(29-16-20)31-26(33)22-7-3-4-8-23(22)30-25(32)18-11-9-17(10-12-18)21-6-2-1-5-19(21)15-28;26-19-10-11-22(29-16-19)31-25(34)20-4-1-2-5-21(20)30-24(33)18-8-6-17(7-9-18)23(27)32-14-3-12-28-13-15-32/h4-5,8-15,18,29H,1-3,6-7,16-17H2,(H,31,34)(H,30,32,35);2-15,17H,16,28H2,1H3,(H,30,32)(H,29,31,33);1-14,16H,15,28H2,(H,30,32)(H,29,31,33);1-2,4-11,16,27-28H,3,12-15H2,(H,30,33)(H,29,31,34)/b29-25+;;;27-23+.
What are the key properties of 2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;2-[[4-[4-(aminomethyl)phenyl]benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide;2-[[4-(azocane-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1,4-diazepane-1-carboximidoyl)benzoyl]amino]benzamide?
2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;2-[[4-[4-(aminomethyl)phenyl]benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide;2-[[4-(azocane-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1,4-diazepane-1-carboximidoyl)benzoyl]amino]benzamide has a molecular weight of 1860.42 g/mol, XLogP of 20.08, 22 rotatable bonds, 13 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;2-[[4-[4-(aminomethyl)phenyl]benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide;2-[[4-(azocane-1-carboximidoyl)benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1,4-diazepane-1-carboximidoyl)benzoyl]amino]benzamide is sourced from PubChem (CID 158321247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).