N-(5-bromo-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(2-methylpyrrolidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide

C74H69Br3N12O6 — CID 158007893

IUPACN-(5-bromo-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(2-methylpyrrolidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide
SMILESC/N=C(\N)c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1.[H]/N=C(/c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCC1C.[H]/N=C(/c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCCC1
InChIInChI=1S/2C26H25BrN4O2.C22H19BrN4O2/c1-17-5-4-14-31(17)25(28)19-10-8-18(9-11-19)23(32)15-20-6-2-3-7-22(20)26(33)30-24-13-12-21(27)16-29-24;27-21-12-13-24(29-17-21)30-26(33)22-7-3-2-6-20(22)16-23(32)18-8-10-19(11-9-18)25(28)31-14-4-1-5-15-31;1-25-21(24)15-8-6-14(7-9-15)19(28)12-16-4-2-3-5-18(16)22(29)27-20-11-10-17(23)13-26-20/h2-3,6-13,16-17,28H,4-5,14-15H2,1H3,(H,29,30,33);2-3,6-13,17,28H,1,4-5,14-16H2,(H,29,30,33);2-11,13H,12H2,1H3,(H2,24,25)(H,26,27,29)/b2*28-25-;
InChIKeyFEMZYHCBAFGLMR-SEJCAXFLSA-N
MW1462.16 g/mol
LogP14.52
Rot. Bonds18

About N-(5-bromo-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(2-methylpyrrolidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide

N-(5-bromo-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(2-methylpyrrolidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide (PubChem CID 158007893) has the molecular formula C74H69Br3N12O6 and a molecular weight of 1462.16 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(2-methylpyrrolidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(2-methylpyrrolidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide
PubChem CID158007893
Molecular FormulaC74H69Br3N12O6
Molecular Weight1462.16 g/mol
Exact Mass1458.30
IUPAC NameN-(5-bromo-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(2-methylpyrrolidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide
SMILESC/N=C(\N)c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1.[H]/N=C(/c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCC1C.[H]/N=C(/c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCCC1
InChIInChI=1S/2C26H25BrN4O2.C22H19BrN4O2/c1-17-5-4-14-31(17)25(28)19-10-8-18(9-11-19)23(32)15-20-6-2-3-7-22(20)26(33)30-24-13-12-21(27)16-29-24;27-21-12-13-24(29-17-21)30-26(33)22-7-3-2-6-20(22)16-23(32)18-8-10-19(11-9-18)25(28)31-14-4-1-5-15-31;1-25-21(24)15-8-6-14(7-9-15)19(28)12-16-4-2-3-5-18(16)22(29)27-20-11-10-17(23)13-26-20/h2-3,6-13,16-17,28H,4-5,14-15H2,1H3,(H,29,30,33);2-3,6-13,17,28H,1,4-5,14-16H2,(H,29,30,33);2-11,13H,12H2,1H3,(H2,24,25)(H,26,27,29)/b2*28-25-;
InChIKeyFEMZYHCBAFGLMR-SEJCAXFLSA-N
XLogP14.52
TPSA269.74 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001462.16
LogP ≤ 514.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

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-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(2-methylpyrrolidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide with MolForge

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Related Compounds

N-[(2R)-4-[(5-bromo-2-pyridinyl)amino]-1,4-dioxo-1-piperidin-1-ylbutan-2-yl]-4-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 44393197
N-[(2S)-4-[(5-bromo-2-pyridinyl)amino]-1,4-dioxo-1-piperidin-1-ylbutan-2-yl]-4-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 44393231
N-(5-bromo-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]-5-methylbenzamide
CID 59585415
N-(5-bromo-2-pyridinyl)-2-[2-[2-fluoro-4-(pyrrolidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide
CID 59585420
N-(5-bromo-2-pyridinyl)-2-[2-[2-fluoro-4-(pyrrolidine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-methylbenzamide
CID 59585453
N-(5-bromo-2-pyridinyl)-2-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide
CID 59585477
N-(5-bromo-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide
CID 59585485
N-(5-bromo-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)-2-fluorophenyl]-2-oxoethyl]-5-methylbenzamide
CID 59585487
N-(5-bromo-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)-2-fluorophenyl]-2-oxoethyl]benzamide
CID 59585488
N-(5-bromo-2-pyridinyl)-2-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-methylbenzamide
CID 59585490
N-(5-bromo-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]-5-(trifluoromethyl)benzamide
CID 159283407
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

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(2-methylpyrrolidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(2-methylpyrrolidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide (CID 158007893) is N-(5-bromo-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(2-methylpyrrolidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(2-methylpyrrolidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(2-methylpyrrolidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide is C/N=C(\N)c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1.[H]/N=C(/c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCC1C.[H]/N=C(/c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCCC1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(2-methylpyrrolidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide?
The InChIKey is FEMZYHCBAFGLMR-SEJCAXFLSA-N. The full InChI is InChI=1S/2C26H25BrN4O2.C22H19BrN4O2/c1-17-5-4-14-31(17)25(28)19-10-8-18(9-11-19)23(32)15-20-6-2-3-7-22(20)26(33)30-24-13-12-21(27)16-29-24;27-21-12-13-24(29-17-21)30-26(33)22-7-3-2-6-20(22)16-23(32)18-8-10-19(11-9-18)25(28)31-14-4-1-5-15-31;1-25-21(24)15-8-6-14(7-9-15)19(28)12-16-4-2-3-5-18(16)22(29)27-20-11-10-17(23)13-26-20/h2-3,6-13,16-17,28H,4-5,14-15H2,1H3,(H,29,30,33);2-3,6-13,17,28H,1,4-5,14-16H2,(H,29,30,33);2-11,13H,12H2,1H3,(H2,24,25)(H,26,27,29)/b2*28-25-;.
What are the key properties of N-(5-bromo-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(2-methylpyrrolidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide?
N-(5-bromo-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(2-methylpyrrolidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide has a molecular weight of 1462.16 g/mol, XLogP of 14.52, 18 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(2-methylpyrrolidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 158007893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).