5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[[methyl(pyrimidin-4-yl)amino]methyl]benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(triazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,2,4-triazol-4-ylmethyl)benzoyl]amino]benzamide

C117H93Cl10N27O10 — CID 159048500

IUPAC5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[[methyl(pyrimidin-4-yl)amino]methyl]benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(triazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,2,4-triazol-4-ylmethyl)benzoyl]amino]benzamide
SMILESCN(Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1)c1ccncn1.O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(CN2CCCCC2)cc1.O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(Cn2ccnc2)cc1.O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(Cn2ccnn2)cc1.O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(Cn2cnnc2)cc1
InChIInChI=1S/C25H20Cl2N6O2.C25H24Cl2N4O2.C23H17Cl2N5O2.2C22H16Cl2N6O2/c1-33(23-10-11-28-15-30-23)14-16-2-4-17(5-3-16)24(34)31-21-8-6-18(26)12-20(21)25(35)32-22-9-7-19(27)13-29-22;26-19-8-10-22(21(14-19)25(33)30-23-11-9-20(27)15-28-23)29-24(32)18-6-4-17(5-7-18)16-31-12-2-1-3-13-31;24-17-5-7-20(19(11-17)23(32)29-21-8-6-18(25)12-27-21)28-22(31)16-3-1-15(2-4-16)13-30-10-9-26-14-30;23-16-5-7-19(18(9-16)22(32)29-20-8-6-17(24)10-25-20)28-21(31)15-3-1-14(2-4-15)11-30-12-26-27-13-30;23-16-5-7-19(18(11-16)22(32)28-20-8-6-17(24)12-25-20)27-21(31)15-3-1-14(2-4-15)13-30-10-9-26-29-30/h2-13,15H,14H2,1H3,(H,31,34)(H,29,32,35);4-11,14-15H,1-3,12-13,16H2,(H,29,32)(H,28,30,33);1-12,14H,13H2,(H,28,31)(H,27,29,32);1-10,12-13H,11H2,(H,28,31)(H,25,29,32);1-12H,13H2,(H,27,31)(H,25,28,32)
InChIKeyJWYNZQAKWUSGRZ-UHFFFAOYSA-N
MW2391.74 g/mol
LogP25.40
Rot. Bonds31

About 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[[methyl(pyrimidin-4-yl)amino]methyl]benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(triazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,2,4-triazol-4-ylmethyl)benzoyl]amino]benzamide

5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[[methyl(pyrimidin-4-yl)amino]methyl]benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(triazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,2,4-triazol-4-ylmethyl)benzoyl]amino]benzamide (PubChem CID 159048500) has the molecular formula C117H93Cl10N27O10 and a molecular weight of 2391.74 g/mol. Its IUPAC name is 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[[methyl(pyrimidin-4-yl)amino]methyl]benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(triazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,2,4-triazol-4-ylmethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[[methyl(pyrimidin-4-yl)amino]methyl]benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(triazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,2,4-triazol-4-ylmethyl)benzoyl]amino]benzamide
PubChem CID159048500
Molecular FormulaC117H93Cl10N27O10
Molecular Weight2391.74 g/mol
Exact Mass2385.45
IUPAC Name5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[[methyl(pyrimidin-4-yl)amino]methyl]benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(triazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,2,4-triazol-4-ylmethyl)benzoyl]amino]benzamide
SMILESCN(Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1)c1ccncn1.O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(CN2CCCCC2)cc1.O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(Cn2ccnc2)cc1.O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(Cn2ccnn2)cc1.O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(Cn2cnnc2)cc1
InChIInChI=1S/C25H20Cl2N6O2.C25H24Cl2N4O2.C23H17Cl2N5O2.2C22H16Cl2N6O2/c1-33(23-10-11-28-15-30-23)14-16-2-4-17(5-3-16)24(34)31-21-8-6-18(26)12-20(21)25(35)32-22-9-7-19(27)13-29-22;26-19-8-10-22(21(14-19)25(33)30-23-11-9-20(27)15-28-23)29-24(32)18-6-4-17(5-7-18)16-31-12-2-1-3-13-31;24-17-5-7-20(19(11-17)23(32)29-21-8-6-18(25)12-27-21)28-22(31)16-3-1-15(2-4-16)13-30-10-9-26-14-30;23-16-5-7-19(18(9-16)22(32)29-20-8-6-17(24)10-25-20)28-21(31)15-3-1-14(2-4-15)11-30-12-26-27-13-30;23-16-5-7-19(18(11-16)22(32)28-20-8-6-17(24)12-25-20)27-21(31)15-3-1-14(2-4-15)13-30-10-9-26-29-30/h2-13,15H,14H2,1H3,(H,31,34)(H,29,32,35);4-11,14-15H,1-3,12-13,16H2,(H,29,32)(H,28,30,33);1-12,14H,13H2,(H,28,31)(H,27,29,32);1-10,12-13H,11H2,(H,28,31)(H,25,29,32);1-12H,13H2,(H,27,31)(H,25,28,32)
InChIKeyJWYNZQAKWUSGRZ-UHFFFAOYSA-N
XLogP25.40
TPSA466.95 Ų
H-Bond Donors10
H-Bond Acceptors27
Rotatable Bonds31
Heavy Atoms164
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002391.74
LogP ≤ 525.40
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1027

Analyze 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[[methyl(pyrimidin-4-yl)amino]methyl]benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(triazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,2,4-triazol-4-ylmethyl)benzoyl]amino]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[[methyl(pyrimidin-4-yl)amino]methyl]benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(triazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,2,4-triazol-4-ylmethyl)benzoyl]amino]benzamide?
The IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[[methyl(pyrimidin-4-yl)amino]methyl]benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(triazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,2,4-triazol-4-ylmethyl)benzoyl]amino]benzamide (CID 159048500) is 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[[methyl(pyrimidin-4-yl)amino]methyl]benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(triazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,2,4-triazol-4-ylmethyl)benzoyl]amino]benzamide.
What is the SMILES notation for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[[methyl(pyrimidin-4-yl)amino]methyl]benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(triazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,2,4-triazol-4-ylmethyl)benzoyl]amino]benzamide?
The canonical SMILES for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[[methyl(pyrimidin-4-yl)amino]methyl]benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(triazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,2,4-triazol-4-ylmethyl)benzoyl]amino]benzamide is CN(Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1)c1ccncn1.O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(CN2CCCCC2)cc1.O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(Cn2ccnc2)cc1.O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(Cn2ccnn2)cc1.O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(Cn2cnnc2)cc1.
What is the InChIKey of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[[methyl(pyrimidin-4-yl)amino]methyl]benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(triazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,2,4-triazol-4-ylmethyl)benzoyl]amino]benzamide?
The InChIKey is JWYNZQAKWUSGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N6O2.C25H24Cl2N4O2.C23H17Cl2N5O2.2C22H16Cl2N6O2/c1-33(23-10-11-28-15-30-23)14-16-2-4-17(5-3-16)24(34)31-21-8-6-18(26)12-20(21)25(35)32-22-9-7-19(27)13-29-22;26-19-8-10-22(21(14-19)25(33)30-23-11-9-20(27)15-28-23)29-24(32)18-6-4-17(5-7-18)16-31-12-2-1-3-13-31;24-17-5-7-20(19(11-17)23(32)29-21-8-6-18(25)12-27-21)28-22(31)16-3-1-15(2-4-16)13-30-10-9-26-14-30;23-16-5-7-19(18(9-16)22(32)29-20-8-6-17(24)10-25-20)28-21(31)15-3-1-14(2-4-15)11-30-12-26-27-13-30;23-16-5-7-19(18(11-16)22(32)28-20-8-6-17(24)12-25-20)27-21(31)15-3-1-14(2-4-15)13-30-10-9-26-29-30/h2-13,15H,14H2,1H3,(H,31,34)(H,29,32,35);4-11,14-15H,1-3,12-13,16H2,(H,29,32)(H,28,30,33);1-12,14H,13H2,(H,28,31)(H,27,29,32);1-10,12-13H,11H2,(H,28,31)(H,25,29,32);1-12H,13H2,(H,27,31)(H,25,28,32).
What are the key properties of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[[methyl(pyrimidin-4-yl)amino]methyl]benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(triazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,2,4-triazol-4-ylmethyl)benzoyl]amino]benzamide?
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[[methyl(pyrimidin-4-yl)amino]methyl]benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(triazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,2,4-triazol-4-ylmethyl)benzoyl]amino]benzamide has a molecular weight of 2391.74 g/mol, XLogP of 25.40, 31 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[[methyl(pyrimidin-4-yl)amino]methyl]benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(triazol-1-ylmethyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,2,4-triazol-4-ylmethyl)benzoyl]amino]benzamide is sourced from PubChem (CID 159048500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).