2-[[4-(azetidine-1-carboximidoyl)anilino]methyl]-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)anilino]methyl]benzamide

C117H115Cl6N25O6 — CID 158174418

IUPAC2-[[4-(azetidine-1-carboximidoyl)anilino]methyl]-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)anilino]methyl]benzamide
SMILESCN1CCN=C1c1ccc(NCc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(/c1ccc(NCc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.[H]/N=C(/c1ccc(NCc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCC1.[H]/N=C(/c1ccc(NCc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCCC1.[H]/N=C(/c1ccc(NCc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCOCC1
InChIInChI=1S/C25H26ClN5O.C24H24ClN5O2.C23H21Cl2N5O.C23H22ClN5O.C22H22ClN5O/c26-20-10-13-23(29-17-20)30-25(32)22-7-3-2-6-19(22)16-28-21-11-8-18(9-12-21)24(27)31-14-4-1-5-15-31;25-19-7-10-22(28-16-19)29-24(31)21-4-2-1-3-18(21)15-27-20-8-5-17(6-9-20)23(26)30-11-13-32-14-12-30;1-30-11-10-26-22(30)15-3-7-19(8-4-15)27-13-16-2-5-17(24)12-20(16)23(31)29-21-9-6-18(25)14-28-21;24-18-8-11-21(27-15-18)28-23(30)20-5-2-1-4-17(20)14-26-19-9-6-16(7-10-19)22(25)29-12-3-13-29;1-28(2)21(24)15-7-10-18(11-8-15)25-13-16-5-3-4-6-19(16)22(29)27-20-12-9-17(23)14-26-20/h2-3,6-13,17,27-28H,1,4-5,14-16H2,(H,29,30,32);1-10,16,26-27H,11-15H2,(H,28,29,31);2-9,12,14,27H,10-11,13H2,1H3,(H,28,29,31);1-2,4-11,15,25-26H,3,12-14H2,(H,27,28,30);3-12,14,24-25H,13H2,1-2H3,(H,26,27,29)/b27-24-;26-23-;;25-22-;24-21-
InChIKeyFXVJHPLYIQRTPL-LVADIXJRSA-N
MW2180.09 g/mol
LogP23.73
Rot. Bonds30

About 2-[[4-(azetidine-1-carboximidoyl)anilino]methyl]-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)anilino]methyl]benzamide

2-[[4-(azetidine-1-carboximidoyl)anilino]methyl]-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)anilino]methyl]benzamide (PubChem CID 158174418) has the molecular formula C117H115Cl6N25O6 and a molecular weight of 2180.09 g/mol. Its IUPAC name is 2-[[4-(azetidine-1-carboximidoyl)anilino]methyl]-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)anilino]methyl]benzamide.

Molecular Properties

Compound Name2-[[4-(azetidine-1-carboximidoyl)anilino]methyl]-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)anilino]methyl]benzamide
PubChem CID158174418
Molecular FormulaC117H115Cl6N25O6
Molecular Weight2180.09 g/mol
Exact Mass2175.76
IUPAC Name2-[[4-(azetidine-1-carboximidoyl)anilino]methyl]-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)anilino]methyl]benzamide
SMILESCN1CCN=C1c1ccc(NCc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(/c1ccc(NCc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.[H]/N=C(/c1ccc(NCc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCC1.[H]/N=C(/c1ccc(NCc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCCC1.[H]/N=C(/c1ccc(NCc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCOCC1
InChIInChI=1S/C25H26ClN5O.C24H24ClN5O2.C23H21Cl2N5O.C23H22ClN5O.C22H22ClN5O/c26-20-10-13-23(29-17-20)30-25(32)22-7-3-2-6-19(22)16-28-21-11-8-18(9-12-21)24(27)31-14-4-1-5-15-31;25-19-7-10-22(28-16-19)29-24(31)21-4-2-1-3-18(21)15-27-20-8-5-17(6-9-20)23(26)30-11-13-32-14-12-30;1-30-11-10-26-22(30)15-3-7-19(8-4-15)27-13-16-2-5-17(24)12-20(16)23(31)29-21-9-6-18(25)14-28-21;24-18-8-11-21(27-15-18)28-23(30)20-5-2-1-4-17(20)14-26-19-9-6-16(7-10-19)22(25)29-12-3-13-29;1-28(2)21(24)15-7-10-18(11-8-15)25-13-16-5-3-4-6-19(16)22(29)27-20-12-9-17(23)14-26-20/h2-3,6-13,17,27-28H,1,4-5,14-16H2,(H,29,30,32);1-10,16,26-27H,11-15H2,(H,28,29,31);2-9,12,14,27H,10-11,13H2,1H3,(H,28,29,31);1-2,4-11,15,25-26H,3,12-14H2,(H,27,28,30);3-12,14,24-25H,13H2,1-2H3,(H,26,27,29)/b27-24-;26-23-;;25-22-;24-21-
InChIKeyFXVJHPLYIQRTPL-LVADIXJRSA-N
XLogP23.73
TPSA403.29 Ų
H-Bond Donors14
H-Bond Acceptors22
Rotatable Bonds30
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002180.09
LogP ≤ 523.73
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(azetidine-1-carboximidoyl)anilino]methyl]-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)anilino]methyl]benzamide?
The IUPAC name of 2-[[4-(azetidine-1-carboximidoyl)anilino]methyl]-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)anilino]methyl]benzamide (CID 158174418) is 2-[[4-(azetidine-1-carboximidoyl)anilino]methyl]-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)anilino]methyl]benzamide.
What is the SMILES notation for 2-[[4-(azetidine-1-carboximidoyl)anilino]methyl]-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)anilino]methyl]benzamide?
The canonical SMILES for 2-[[4-(azetidine-1-carboximidoyl)anilino]methyl]-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)anilino]methyl]benzamide is CN1CCN=C1c1ccc(NCc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(/c1ccc(NCc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.[H]/N=C(/c1ccc(NCc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCC1.[H]/N=C(/c1ccc(NCc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCCC1.[H]/N=C(/c1ccc(NCc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCOCC1.
What is the InChIKey of 2-[[4-(azetidine-1-carboximidoyl)anilino]methyl]-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)anilino]methyl]benzamide?
The InChIKey is FXVJHPLYIQRTPL-LVADIXJRSA-N. The full InChI is InChI=1S/C25H26ClN5O.C24H24ClN5O2.C23H21Cl2N5O.C23H22ClN5O.C22H22ClN5O/c26-20-10-13-23(29-17-20)30-25(32)22-7-3-2-6-19(22)16-28-21-11-8-18(9-12-21)24(27)31-14-4-1-5-15-31;25-19-7-10-22(28-16-19)29-24(31)21-4-2-1-3-18(21)15-27-20-8-5-17(6-9-20)23(26)30-11-13-32-14-12-30;1-30-11-10-26-22(30)15-3-7-19(8-4-15)27-13-16-2-5-17(24)12-20(16)23(31)29-21-9-6-18(25)14-28-21;24-18-8-11-21(27-15-18)28-23(30)20-5-2-1-4-17(20)14-26-19-9-6-16(7-10-19)22(25)29-12-3-13-29;1-28(2)21(24)15-7-10-18(11-8-15)25-13-16-5-3-4-6-19(16)22(29)27-20-12-9-17(23)14-26-20/h2-3,6-13,17,27-28H,1,4-5,14-16H2,(H,29,30,32);1-10,16,26-27H,11-15H2,(H,28,29,31);2-9,12,14,27H,10-11,13H2,1H3,(H,28,29,31);1-2,4-11,15,25-26H,3,12-14H2,(H,27,28,30);3-12,14,24-25H,13H2,1-2H3,(H,26,27,29)/b27-24-;26-23-;;25-22-;24-21-.
What are the key properties of 2-[[4-(azetidine-1-carboximidoyl)anilino]methyl]-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)anilino]methyl]benzamide?
2-[[4-(azetidine-1-carboximidoyl)anilino]methyl]-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)anilino]methyl]benzamide has a molecular weight of 2180.09 g/mol, XLogP of 23.73, 30 rotatable bonds, 14 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(azetidine-1-carboximidoyl)anilino]methyl]-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)anilino]methyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)anilino]methyl]benzamide is sourced from PubChem (CID 158174418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).