N-(5-bromo-2-pyridinyl)-2-[(4-carbamimidoylbenzoyl)amino]-5-chloro-3-methylbenzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide

C96H86Br4Cl4N20O8 — CID 157374351

IUPACN-(5-bromo-2-pyridinyl)-2-[(4-carbamimidoylbenzoyl)amino]-5-chloro-3-methylbenzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide
SMILESCc1cc(Cl)cc(C(=O)Nc2ccc(Br)cn2)c1NC(=O)c1ccc(C2=NCCN2C)cc1.[H]/N=C(/c1ccc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCCC1.[H]/N=C(\N)c1ccc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)Nc2ccc(Br)cn2)cc1
InChIInChI=1S/C26H25BrClN5O2.C25H23BrClN5O2.C24H21BrClN5O2.C21H17BrClN5O2/c1-16-13-20(28)14-21(26(35)31-22-10-9-19(27)15-30-22)23(16)32-25(34)18-7-5-17(6-8-18)24(29)33-11-3-2-4-12-33;1-15-12-19(27)13-20(25(34)30-21-9-8-18(26)14-29-21)22(15)31-24(33)17-6-4-16(5-7-17)23(28)32-10-2-3-11-32;1-14-11-18(26)12-19(24(33)29-20-8-7-17(25)13-28-20)21(14)30-23(32)16-5-3-15(4-6-16)22-27-9-10-31(22)2;1-11-8-15(23)9-16(21(30)27-17-7-6-14(22)10-26-17)18(11)28-20(29)13-4-2-12(3-5-13)19(24)25/h5-10,13-15,29H,2-4,11-12H2,1H3,(H,32,34)(H,30,31,35);4-9,12-14,28H,2-3,10-11H2,1H3,(H,31,33)(H,29,30,34);3-8,11-13H,9-10H2,1-2H3,(H,30,32)(H,28,29,33);2-10H,1H3,(H3,24,25)(H,28,29)(H,26,27,30)/b29-24-;28-23-;;
InChIKeyBKDJTYTXBFPVBP-LPZDDCOLSA-N
MW2109.30 g/mol
LogP21.45
Rot. Bonds20

About N-(5-bromo-2-pyridinyl)-2-[(4-carbamimidoylbenzoyl)amino]-5-chloro-3-methylbenzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide

N-(5-bromo-2-pyridinyl)-2-[(4-carbamimidoylbenzoyl)amino]-5-chloro-3-methylbenzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide (PubChem CID 157374351) has the molecular formula C96H86Br4Cl4N20O8 and a molecular weight of 2109.30 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-[(4-carbamimidoylbenzoyl)amino]-5-chloro-3-methylbenzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-[(4-carbamimidoylbenzoyl)amino]-5-chloro-3-methylbenzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide
PubChem CID157374351
Molecular FormulaC96H86Br4Cl4N20O8
Molecular Weight2109.30 g/mol
Exact Mass2102.24
IUPAC NameN-(5-bromo-2-pyridinyl)-2-[(4-carbamimidoylbenzoyl)amino]-5-chloro-3-methylbenzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide
SMILESCc1cc(Cl)cc(C(=O)Nc2ccc(Br)cn2)c1NC(=O)c1ccc(C2=NCCN2C)cc1.[H]/N=C(/c1ccc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCCC1.[H]/N=C(\N)c1ccc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)Nc2ccc(Br)cn2)cc1
InChIInChI=1S/C26H25BrClN5O2.C25H23BrClN5O2.C24H21BrClN5O2.C21H17BrClN5O2/c1-16-13-20(28)14-21(26(35)31-22-10-9-19(27)15-30-22)23(16)32-25(34)18-7-5-17(6-8-18)24(29)33-11-3-2-4-12-33;1-15-12-19(27)13-20(25(34)30-21-9-8-18(26)14-29-21)22(15)31-24(33)17-6-4-16(5-7-17)23(28)32-10-2-3-11-32;1-14-11-18(26)12-19(24(33)29-20-8-7-17(25)13-28-20)21(14)30-23(32)16-5-3-15(4-6-16)22-27-9-10-31(22)2;1-11-8-15(23)9-16(21(30)27-17-7-6-14(22)10-26-17)18(11)28-20(29)13-4-2-12(3-5-13)19(24)25/h5-10,13-15,29H,2-4,11-12H2,1H3,(H,32,34)(H,30,31,35);4-9,12-14,28H,2-3,10-11H2,1H3,(H,31,33)(H,29,30,34);3-8,11-13H,9-10H2,1-2H3,(H,30,32)(H,28,29,33);2-10H,1H3,(H3,24,25)(H,28,29)(H,26,27,30)/b29-24-;28-23-;;
InChIKeyBKDJTYTXBFPVBP-LPZDDCOLSA-N
XLogP21.45
TPSA404.01 Ų
H-Bond Donors12
H-Bond Acceptors17
Rotatable Bonds20
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002109.30
LogP ≤ 521.45
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1017

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)-2-[(4-carbamimidoylbenzoyl)amino]-5-chloro-3-methylbenzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide with MolForge

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Related Compounds

N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-dimethylbenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-(trifluoromethyl)benzamide;N-(5-bromo-2-pyridinyl)-4,5-dimethyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(trifluoromethyl)benzamide
CID 160669517
N-(5-bromo-2-pyridinyl)-5-chloro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
CID 18728062
N-(5-bromo-2-pyridinyl)-5-chloro-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 18728070
N-(5-bromo-2-pyridinyl)-5-chloro-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 18728071
N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
CID 59089700
N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 59089735
N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 59089755
N-(5-bromo-2-pyridinyl)-2-[(4-carbamimidoylbenzoyl)amino]-5-chloro-3-methylbenzamide
CID 59089782
bis(N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide);bis(N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide)
CID 90696699
N-(5-bromo-2-pyridinyl)-2-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-5-methylbenzamide;N-(5-bromo-2-pyridinyl)-2-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]-5-methylbenzamide;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 90911924
N-[2-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methylbenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzoyl]amino]-5-methylbenzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methylbenzamide
CID 90920317
3-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methylbenzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methylbenzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzoyl]amino]-5-methylbenzamide
CID 90931013

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-[(4-carbamimidoylbenzoyl)amino]-5-chloro-3-methylbenzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-[(4-carbamimidoylbenzoyl)amino]-5-chloro-3-methylbenzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide (CID 157374351) is N-(5-bromo-2-pyridinyl)-2-[(4-carbamimidoylbenzoyl)amino]-5-chloro-3-methylbenzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-[(4-carbamimidoylbenzoyl)amino]-5-chloro-3-methylbenzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-[(4-carbamimidoylbenzoyl)amino]-5-chloro-3-methylbenzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide is Cc1cc(Cl)cc(C(=O)Nc2ccc(Br)cn2)c1NC(=O)c1ccc(C2=NCCN2C)cc1.[H]/N=C(/c1ccc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCCC1.[H]/N=C(\N)c1ccc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)Nc2ccc(Br)cn2)cc1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-[(4-carbamimidoylbenzoyl)amino]-5-chloro-3-methylbenzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide?
The InChIKey is BKDJTYTXBFPVBP-LPZDDCOLSA-N. The full InChI is InChI=1S/C26H25BrClN5O2.C25H23BrClN5O2.C24H21BrClN5O2.C21H17BrClN5O2/c1-16-13-20(28)14-21(26(35)31-22-10-9-19(27)15-30-22)23(16)32-25(34)18-7-5-17(6-8-18)24(29)33-11-3-2-4-12-33;1-15-12-19(27)13-20(25(34)30-21-9-8-18(26)14-29-21)22(15)31-24(33)17-6-4-16(5-7-17)23(28)32-10-2-3-11-32;1-14-11-18(26)12-19(24(33)29-20-8-7-17(25)13-28-20)21(14)30-23(32)16-5-3-15(4-6-16)22-27-9-10-31(22)2;1-11-8-15(23)9-16(21(30)27-17-7-6-14(22)10-26-17)18(11)28-20(29)13-4-2-12(3-5-13)19(24)25/h5-10,13-15,29H,2-4,11-12H2,1H3,(H,32,34)(H,30,31,35);4-9,12-14,28H,2-3,10-11H2,1H3,(H,31,33)(H,29,30,34);3-8,11-13H,9-10H2,1-2H3,(H,30,32)(H,28,29,33);2-10H,1H3,(H3,24,25)(H,28,29)(H,26,27,30)/b29-24-;28-23-;;.
What are the key properties of N-(5-bromo-2-pyridinyl)-2-[(4-carbamimidoylbenzoyl)amino]-5-chloro-3-methylbenzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide?
N-(5-bromo-2-pyridinyl)-2-[(4-carbamimidoylbenzoyl)amino]-5-chloro-3-methylbenzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide has a molecular weight of 2109.30 g/mol, XLogP of 21.45, 20 rotatable bonds, 12 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-[(4-carbamimidoylbenzoyl)amino]-5-chloro-3-methylbenzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide is sourced from PubChem (CID 157374351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).