N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-5-methylbenzamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]-5-methylbenzamide

C102H98Br2Cl2F2N20O8 — CID 91226521

IUPACN-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-5-methylbenzamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]-5-methylbenzamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2ccc(C)cc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(C)cc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(C)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(C)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCCCC1
InChIInChI=1S/C26H26BrN5O2.C26H25ClFN5O2.C25H24BrN5O2.C25H23ClFN5O2/c1-17-5-11-22(21(15-17)26(34)31-23-12-10-20(27)16-29-23)30-25(33)19-8-6-18(7-9-19)24(28)32-13-3-2-4-14-32;1-16-5-9-22(20(13-16)26(35)32-23-10-7-18(27)15-30-23)31-25(34)19-8-6-17(14-21(19)28)24(29)33-11-3-2-4-12-33;1-16-4-10-21(20(14-16)25(33)30-22-11-9-19(26)15-28-22)29-24(32)18-7-5-17(6-8-18)23(27)31-12-2-3-13-31;1-15-4-8-21(19(12-15)25(34)31-22-9-6-17(26)14-29-22)30-24(33)18-7-5-16(13-20(18)27)23(28)32-10-2-3-11-32/h5-12,15-16,28H,2-4,13-14H2,1H3,(H,30,33)(H,29,31,34);5-10,13-15,29H,2-4,11-12H2,1H3,(H,31,34)(H,30,32,35);4-11,14-15,27H,2-3,12-13H2,1H3,(H,29,32)(H,28,30,33);4-9,12-14,28H,2-3,10-11H2,1H3,(H,30,33)(H,29,31,34)/b28-24-;29-24-;27-23-;28-23-
InChIKeyCLQJWJRIWMKDGY-DLHDYJBTSA-N
MW2000.75 g/mol
LogP21.15
Rot. Bonds20

About N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-5-methylbenzamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]-5-methylbenzamide

N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-5-methylbenzamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]-5-methylbenzamide (PubChem CID 91226521) has the molecular formula C102H98Br2Cl2F2N20O8 and a molecular weight of 2000.75 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-5-methylbenzamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]-5-methylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-5-methylbenzamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]-5-methylbenzamide
PubChem CID91226521
Molecular FormulaC102H98Br2Cl2F2N20O8
Molecular Weight2000.75 g/mol
Exact Mass1996.56
IUPAC NameN-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-5-methylbenzamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]-5-methylbenzamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2ccc(C)cc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(C)cc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(C)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(C)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCCCC1
InChIInChI=1S/C26H26BrN5O2.C26H25ClFN5O2.C25H24BrN5O2.C25H23ClFN5O2/c1-17-5-11-22(21(15-17)26(34)31-23-12-10-20(27)16-29-23)30-25(33)19-8-6-18(7-9-19)24(28)32-13-3-2-4-14-32;1-16-5-9-22(20(13-16)26(35)32-23-10-7-18(27)15-30-23)31-25(34)19-8-6-17(14-21(19)28)24(29)33-11-3-2-4-12-33;1-16-4-10-21(20(14-16)25(33)30-22-11-9-19(26)15-28-22)29-24(32)18-7-5-17(6-8-18)23(27)31-12-2-3-13-31;1-15-4-8-21(19(12-15)25(34)31-22-9-6-17(26)14-29-22)30-24(33)18-7-5-16(13-20(18)27)23(28)32-10-2-3-11-32/h5-12,15-16,28H,2-4,13-14H2,1H3,(H,30,33)(H,29,31,34);5-10,13-15,29H,2-4,11-12H2,1H3,(H,31,34)(H,30,32,35);4-11,14-15,27H,2-3,12-13H2,1H3,(H,29,32)(H,28,30,33);4-9,12-14,28H,2-3,10-11H2,1H3,(H,30,33)(H,29,31,34)/b28-24-;29-24-;27-23-;28-23-
InChIKeyCLQJWJRIWMKDGY-DLHDYJBTSA-N
XLogP21.15
TPSA392.72 Ų
H-Bond Donors12
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms136
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002000.75
LogP ≤ 521.15
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-5-methylbenzamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]-5-methylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-5-methylbenzamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]-5-methylbenzamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-5-methylbenzamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]-5-methylbenzamide (CID 91226521) is N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-5-methylbenzamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]-5-methylbenzamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-5-methylbenzamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]-5-methylbenzamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-5-methylbenzamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]-5-methylbenzamide is [H]/N=C(/c1ccc(C(=O)Nc2ccc(C)cc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(C)cc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(C)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(C)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCCCC1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-5-methylbenzamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]-5-methylbenzamide?
The InChIKey is CLQJWJRIWMKDGY-DLHDYJBTSA-N. The full InChI is InChI=1S/C26H26BrN5O2.C26H25ClFN5O2.C25H24BrN5O2.C25H23ClFN5O2/c1-17-5-11-22(21(15-17)26(34)31-23-12-10-20(27)16-29-23)30-25(33)19-8-6-18(7-9-19)24(28)32-13-3-2-4-14-32;1-16-5-9-22(20(13-16)26(35)32-23-10-7-18(27)15-30-23)31-25(34)19-8-6-17(14-21(19)28)24(29)33-11-3-2-4-12-33;1-16-4-10-21(20(14-16)25(33)30-22-11-9-19(26)15-28-22)29-24(32)18-7-5-17(6-8-18)23(27)31-12-2-3-13-31;1-15-4-8-21(19(12-15)25(34)31-22-9-6-17(26)14-29-22)30-24(33)18-7-5-16(13-20(18)27)23(28)32-10-2-3-11-32/h5-12,15-16,28H,2-4,13-14H2,1H3,(H,30,33)(H,29,31,34);5-10,13-15,29H,2-4,11-12H2,1H3,(H,31,34)(H,30,32,35);4-11,14-15,27H,2-3,12-13H2,1H3,(H,29,32)(H,28,30,33);4-9,12-14,28H,2-3,10-11H2,1H3,(H,30,33)(H,29,31,34)/b28-24-;29-24-;27-23-;28-23-.
What are the key properties of N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-5-methylbenzamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]-5-methylbenzamide?
N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-5-methylbenzamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]-5-methylbenzamide has a molecular weight of 2000.75 g/mol, XLogP of 21.15, 20 rotatable bonds, 12 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-5-methylbenzamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]-5-methylbenzamide is sourced from PubChem (CID 91226521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).