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

C73H66Br3N11O7 — CID 158633704

IUPACN-(5-bromo-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(morpholine-4-carboximidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCCC1.[H]/N=C(/c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCOCC1.[H]/N=C(\C)c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1
InChIInChI=1S/C26H25BrN4O2.C25H23BrN4O3.C22H18BrN3O2/c27-21-12-13-24(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;26-20-9-10-23(28-16-20)29-25(32)21-4-2-1-3-19(21)15-22(31)17-5-7-18(8-6-17)24(27)30-11-13-33-14-12-30;1-14(24)15-6-8-16(9-7-15)20(27)12-17-4-2-3-5-19(17)22(28)26-21-11-10-18(23)13-25-21/h2-3,6-13,17,28H,1,4-5,14-16H2,(H,29,30,33);1-10,16,27H,11-15H2,(H,28,29,32);2-11,13,24H,12H2,1H3,(H,25,26,28)/b28-25-;27-24-;24-14+
InChIKeyHZMSFMPQUATZDF-MMSGWBKISA-N
MW1449.11 g/mol
LogP14.42
Rot. Bonds18

About N-(5-bromo-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(morpholine-4-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-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(morpholine-4-carboximidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide (PubChem CID 158633704) has the molecular formula C73H66Br3N11O7 and a molecular weight of 1449.11 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(morpholine-4-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-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(morpholine-4-carboximidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide
PubChem CID158633704
Molecular FormulaC73H66Br3N11O7
Molecular Weight1449.11 g/mol
Exact Mass1445.27
IUPAC NameN-(5-bromo-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(morpholine-4-carboximidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCCC1.[H]/N=C(/c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCOCC1.[H]/N=C(\C)c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1
InChIInChI=1S/C26H25BrN4O2.C25H23BrN4O3.C22H18BrN3O2/c27-21-12-13-24(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;26-20-9-10-23(28-16-20)29-25(32)21-4-2-1-3-19(21)15-22(31)17-5-7-18(8-6-17)24(27)30-11-13-33-14-12-30;1-14(24)15-6-8-16(9-7-15)20(27)12-17-4-2-3-5-19(17)22(28)26-21-11-10-18(23)13-25-21/h2-3,6-13,17,28H,1,4-5,14-16H2,(H,29,30,33);1-10,16,27H,11-15H2,(H,28,29,32);2-11,13,24H,12H2,1H3,(H,25,26,28)/b28-25-;27-24-;24-14+
InChIKeyHZMSFMPQUATZDF-MMSGWBKISA-N
XLogP14.42
TPSA264.44 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds18
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001449.11
LogP ≤ 514.42
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

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-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(morpholine-4-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-[(2S)-4-[(5-bromo-2-pyridinyl)amino]-1,4-dioxo-1-piperidin-1-ylbutan-2-yl]-4-[2-(morpholin-4-ylmethyl)phenyl]benzamide
CID 44393252
N-[(2R)-4-[(5-bromo-2-pyridinyl)amino]-1,4-dioxo-1-piperidin-1-ylbutan-2-yl]-4-[2-(morpholin-4-ylmethyl)phenyl]benzamide
CID 44393253
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-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide
CID 59585419
N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide
CID 59585444
N-(5-bromo-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide
CID 59585478
N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(piperazine-1-carboximidoyl)phenyl]ethyl]benzamide;methane
CID 157110301
N-(5-bromo-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]-5-methylbenzamide
CID 157133396
N-(5-bromo-2-pyridinyl)-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide
CID 157207067
N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-4-carbamimidoyl-2-fluorobenzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide
CID 157321999
N-(5-bromo-2-pyridinyl)-2-[2-[4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]ethyl]benzamide
CID 157426208
2-[2-[4-(azocane-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-bromo-2-pyridinyl)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-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]benzamide
CID 157499113

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(morpholine-4-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-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(morpholine-4-carboximidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide (CID 158633704) is N-(5-bromo-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(morpholine-4-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-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(morpholine-4-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-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(morpholine-4-carboximidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide is [H]/N=C(/c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCCC1.[H]/N=C(/c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCOCC1.[H]/N=C(\C)c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(morpholine-4-carboximidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide?
The InChIKey is HZMSFMPQUATZDF-MMSGWBKISA-N. The full InChI is InChI=1S/C26H25BrN4O2.C25H23BrN4O3.C22H18BrN3O2/c27-21-12-13-24(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;26-20-9-10-23(28-16-20)29-25(32)21-4-2-1-3-19(21)15-22(31)17-5-7-18(8-6-17)24(27)30-11-13-33-14-12-30;1-14(24)15-6-8-16(9-7-15)20(27)12-17-4-2-3-5-19(17)22(28)26-21-11-10-18(23)13-25-21/h2-3,6-13,17,28H,1,4-5,14-16H2,(H,29,30,33);1-10,16,27H,11-15H2,(H,28,29,32);2-11,13,24H,12H2,1H3,(H,25,26,28)/b28-25-;27-24-;24-14+.
What are the key properties of N-(5-bromo-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(morpholine-4-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-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(morpholine-4-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 1449.11 g/mol, XLogP of 14.42, 18 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(morpholine-4-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 158633704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).