N-(2-aminophenyl)-8-oxo-8-(4-pyridin-3-ylphenyl)octanamide;benzene-1,2-diamine;1-(4-bromophenyl)nonane-1,8-dione;3-bromopyridine;8-oxo-8-(4-pyridin-3-ylphenyl)octanoic acid;1-(4-pyridin-3-ylphenyl)nonane-1,8-dione

C90H102Br2N8O9 — CID 159990296

IUPACN-(2-aminophenyl)-8-oxo-8-(4-pyridin-3-ylphenyl)octanamide;benzene-1,2-diamine;1-(4-bromophenyl)nonane-1,8-dione;3-bromopyridine;8-oxo-8-(4-pyridin-3-ylphenyl)octanoic acid;1-(4-pyridin-3-ylphenyl)nonane-1,8-dione
SMILESBrc1cccnc1.CC(=O)CCCCCCC(=O)c1ccc(-c2cccnc2)cc1.CC(=O)CCCCCCC(=O)c1ccc(Br)cc1.Nc1ccccc1N.Nc1ccccc1NC(=O)CCCCCCC(=O)c1ccc(-c2cccnc2)cc1.O=C(O)CCCCCCC(=O)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C25H27N3O2.C20H23NO2.C19H21NO3.C15H19BrO2.C6H8N2.C5H4BrN/c26-22-9-5-6-10-23(22)28-25(30)12-4-2-1-3-11-24(29)20-15-13-19(14-16-20)21-8-7-17-27-18-21;1-16(22)7-4-2-3-5-9-20(23)18-12-10-17(11-13-18)19-8-6-14-21-15-19;21-18(7-3-1-2-4-8-19(22)23)16-11-9-15(10-12-16)17-6-5-13-20-14-17;1-12(17)6-4-2-3-5-7-15(18)13-8-10-14(16)11-9-13;7-5-3-1-2-4-6(5)8;6-5-2-1-3-7-4-5/h5-10,13-18H,1-4,11-12,26H2,(H,28,30);6,8,10-15H,2-5,7,9H2,1H3;5-6,9-14H,1-4,7-8H2,(H,22,23);8-11H,2-7H2,1H3;1-4H,7-8H2;1-4H
InChIKeyOGWCRDUQLGRXII-UHFFFAOYSA-N
MW1599.66 g/mol
LogP21.97
Rot. Bonds36

About N-(2-aminophenyl)-8-oxo-8-(4-pyridin-3-ylphenyl)octanamide;benzene-1,2-diamine;1-(4-bromophenyl)nonane-1,8-dione;3-bromopyridine;8-oxo-8-(4-pyridin-3-ylphenyl)octanoic acid;1-(4-pyridin-3-ylphenyl)nonane-1,8-dione

N-(2-aminophenyl)-8-oxo-8-(4-pyridin-3-ylphenyl)octanamide;benzene-1,2-diamine;1-(4-bromophenyl)nonane-1,8-dione;3-bromopyridine;8-oxo-8-(4-pyridin-3-ylphenyl)octanoic acid;1-(4-pyridin-3-ylphenyl)nonane-1,8-dione (PubChem CID 159990296) has the molecular formula C90H102Br2N8O9 and a molecular weight of 1599.66 g/mol. Its IUPAC name is N-(2-aminophenyl)-8-oxo-8-(4-pyridin-3-ylphenyl)octanamide;benzene-1,2-diamine;1-(4-bromophenyl)nonane-1,8-dione;3-bromopyridine;8-oxo-8-(4-pyridin-3-ylphenyl)octanoic acid;1-(4-pyridin-3-ylphenyl)nonane-1,8-dione.

Molecular Properties

Compound NameN-(2-aminophenyl)-8-oxo-8-(4-pyridin-3-ylphenyl)octanamide;benzene-1,2-diamine;1-(4-bromophenyl)nonane-1,8-dione;3-bromopyridine;8-oxo-8-(4-pyridin-3-ylphenyl)octanoic acid;1-(4-pyridin-3-ylphenyl)nonane-1,8-dione
PubChem CID159990296
Molecular FormulaC90H102Br2N8O9
Molecular Weight1599.66 g/mol
Exact Mass1596.61
IUPAC NameN-(2-aminophenyl)-8-oxo-8-(4-pyridin-3-ylphenyl)octanamide;benzene-1,2-diamine;1-(4-bromophenyl)nonane-1,8-dione;3-bromopyridine;8-oxo-8-(4-pyridin-3-ylphenyl)octanoic acid;1-(4-pyridin-3-ylphenyl)nonane-1,8-dione
SMILESBrc1cccnc1.CC(=O)CCCCCCC(=O)c1ccc(-c2cccnc2)cc1.CC(=O)CCCCCCC(=O)c1ccc(Br)cc1.Nc1ccccc1N.Nc1ccccc1NC(=O)CCCCCCC(=O)c1ccc(-c2cccnc2)cc1.O=C(O)CCCCCCC(=O)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C25H27N3O2.C20H23NO2.C19H21NO3.C15H19BrO2.C6H8N2.C5H4BrN/c26-22-9-5-6-10-23(22)28-25(30)12-4-2-1-3-11-24(29)20-15-13-19(14-16-20)21-8-7-17-27-18-21;1-16(22)7-4-2-3-5-9-20(23)18-12-10-17(11-13-18)19-8-6-14-21-15-19;21-18(7-3-1-2-4-8-19(22)23)16-11-9-15(10-12-16)17-6-5-13-20-14-17;1-12(17)6-4-2-3-5-7-15(18)13-8-10-14(16)11-9-13;7-5-3-1-2-4-6(5)8;6-5-2-1-3-7-4-5/h5-10,13-18H,1-4,11-12,26H2,(H,28,30);6,8,10-15H,2-5,7,9H2,1H3;5-6,9-14H,1-4,7-8H2,(H,22,23);8-11H,2-7H2,1H3;1-4H,7-8H2;1-4H
InChIKeyOGWCRDUQLGRXII-UHFFFAOYSA-N
XLogP21.97
TPSA298.44 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds36
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001599.66
LogP ≤ 521.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-aminophenyl)-8-oxo-8-(4-pyridin-3-ylphenyl)octanamide;benzene-1,2-diamine;1-(4-bromophenyl)nonane-1,8-dione;3-bromopyridine;8-oxo-8-(4-pyridin-3-ylphenyl)octanoic acid;1-(4-pyridin-3-ylphenyl)nonane-1,8-dione with MolForge

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Related Compounds

tert-butyl N-[2-[(4-bromo-3-fluorobenzoyl)amino]phenyl]carbamate;tert-butyl N-[2-[(3-fluoro-4-pyridin-3-ylbenzoyl)amino]phenyl]carbamate
CID 69792148
1-(2-Aminophenyl)-9-(5-bromo-3-pyridinyl)nonane-2,8-dione;benzene-1,2-diamine;5-bromopyridin-3-amine;8-(5-bromo-3-pyridinyl)-7-oxooctanoic acid;heptanedioic acid
CID 157148448
N-(2-aminophenyl)-8-[6-[4-(morpholin-4-ylmethyl)phenyl]-3-pyridinyl]-8-oxooctanamide;benzene-1,2-diamine;1-bromo-4-(4-bromophenyl)benzene;4-(4-bromophenyl)benzaldehyde;4-[[4-(4-bromophenyl)phenyl]methyl]morpholine;N-hydroxy-8-[6-[4-(morpholin-4-ylmethyl)phenyl]-3-pyridinyl]-8-oxooctanamide;methyl 8-chloro-8-oxooctanoate;methyl 8-[6-[4-(morpholin-4-ylmethyl)phenyl]-3-pyridinyl]-8-oxooctanoate;morpholine;8-[6-[4-(morpholin-4-ylmethyl)phenyl]-3-pyridinyl]-8-oxooctanoic acid
CID 158977538
CID 158981821
CID 158981821
tert-butyl N-[2-[(4-bromobenzoyl)amino]phenyl]carbamate;tert-butyl N-[2-[(4-pyridin-4-ylbenzoyl)amino]phenyl]carbamate
CID 159112639
3-bromo-5-methylpyridine;ethane;2-ethylbenzoic acid;2-ethyl-N-(5-methyl-3-pyridinyl)benzamide;5-methylpyridin-3-amine
CID 160305575
N-(2-aminophenyl)-8-oxo-8-(6-phenyl-3-pyridinyl)octanamide;benzene-1,2-diamine;2,5-dibromopyridine;N-hydroxy-8-oxo-8-(6-phenyl-3-pyridinyl)octanamide;methyl 8-(6-bromo-3-pyridinyl)-8-oxooctanoate;methyl 8-chloro-8-oxooctanoate;methyl 8-oxo-8-(6-phenyl-3-pyridinyl)octanoate;8-oxo-8-(6-phenyl-3-pyridinyl)octanoic acid;phenylboronic acid
CID 161517913
acetic acid;azane;2-(4-bromophenyl)-4-phenyl-6-pyridin-2-ylpyridine;1-(4-bromophenyl)-2-pyridin-1-ium-1-ylethanone;ethanol;(E)-3-phenyl-1-pyridin-2-ylprop-2-en-1-one;bromide
CID 162097192
N-(2-aminophenyl)-8-oxo-8-(4-pyridin-3-ylphenyl)octanamide;benzene-1,2-diamine;3-bromopyridine;ethyl 8-(4-bromophenyl)-8-oxooctanoate;ethyl 8-oxo-8-(4-pyridin-3-ylphenyl)octanoate;8-oxo-8-(4-pyridin-3-ylphenyl)octanoic acid
CID 162248340

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-8-oxo-8-(4-pyridin-3-ylphenyl)octanamide;benzene-1,2-diamine;1-(4-bromophenyl)nonane-1,8-dione;3-bromopyridine;8-oxo-8-(4-pyridin-3-ylphenyl)octanoic acid;1-(4-pyridin-3-ylphenyl)nonane-1,8-dione?
The IUPAC name of N-(2-aminophenyl)-8-oxo-8-(4-pyridin-3-ylphenyl)octanamide;benzene-1,2-diamine;1-(4-bromophenyl)nonane-1,8-dione;3-bromopyridine;8-oxo-8-(4-pyridin-3-ylphenyl)octanoic acid;1-(4-pyridin-3-ylphenyl)nonane-1,8-dione (CID 159990296) is N-(2-aminophenyl)-8-oxo-8-(4-pyridin-3-ylphenyl)octanamide;benzene-1,2-diamine;1-(4-bromophenyl)nonane-1,8-dione;3-bromopyridine;8-oxo-8-(4-pyridin-3-ylphenyl)octanoic acid;1-(4-pyridin-3-ylphenyl)nonane-1,8-dione.
What is the SMILES notation for N-(2-aminophenyl)-8-oxo-8-(4-pyridin-3-ylphenyl)octanamide;benzene-1,2-diamine;1-(4-bromophenyl)nonane-1,8-dione;3-bromopyridine;8-oxo-8-(4-pyridin-3-ylphenyl)octanoic acid;1-(4-pyridin-3-ylphenyl)nonane-1,8-dione?
The canonical SMILES for N-(2-aminophenyl)-8-oxo-8-(4-pyridin-3-ylphenyl)octanamide;benzene-1,2-diamine;1-(4-bromophenyl)nonane-1,8-dione;3-bromopyridine;8-oxo-8-(4-pyridin-3-ylphenyl)octanoic acid;1-(4-pyridin-3-ylphenyl)nonane-1,8-dione is Brc1cccnc1.CC(=O)CCCCCCC(=O)c1ccc(-c2cccnc2)cc1.CC(=O)CCCCCCC(=O)c1ccc(Br)cc1.Nc1ccccc1N.Nc1ccccc1NC(=O)CCCCCCC(=O)c1ccc(-c2cccnc2)cc1.O=C(O)CCCCCCC(=O)c1ccc(-c2cccnc2)cc1.
What is the InChIKey of N-(2-aminophenyl)-8-oxo-8-(4-pyridin-3-ylphenyl)octanamide;benzene-1,2-diamine;1-(4-bromophenyl)nonane-1,8-dione;3-bromopyridine;8-oxo-8-(4-pyridin-3-ylphenyl)octanoic acid;1-(4-pyridin-3-ylphenyl)nonane-1,8-dione?
The InChIKey is OGWCRDUQLGRXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2.C20H23NO2.C19H21NO3.C15H19BrO2.C6H8N2.C5H4BrN/c26-22-9-5-6-10-23(22)28-25(30)12-4-2-1-3-11-24(29)20-15-13-19(14-16-20)21-8-7-17-27-18-21;1-16(22)7-4-2-3-5-9-20(23)18-12-10-17(11-13-18)19-8-6-14-21-15-19;21-18(7-3-1-2-4-8-19(22)23)16-11-9-15(10-12-16)17-6-5-13-20-14-17;1-12(17)6-4-2-3-5-7-15(18)13-8-10-14(16)11-9-13;7-5-3-1-2-4-6(5)8;6-5-2-1-3-7-4-5/h5-10,13-18H,1-4,11-12,26H2,(H,28,30);6,8,10-15H,2-5,7,9H2,1H3;5-6,9-14H,1-4,7-8H2,(H,22,23);8-11H,2-7H2,1H3;1-4H,7-8H2;1-4H.
What are the key properties of N-(2-aminophenyl)-8-oxo-8-(4-pyridin-3-ylphenyl)octanamide;benzene-1,2-diamine;1-(4-bromophenyl)nonane-1,8-dione;3-bromopyridine;8-oxo-8-(4-pyridin-3-ylphenyl)octanoic acid;1-(4-pyridin-3-ylphenyl)nonane-1,8-dione?
N-(2-aminophenyl)-8-oxo-8-(4-pyridin-3-ylphenyl)octanamide;benzene-1,2-diamine;1-(4-bromophenyl)nonane-1,8-dione;3-bromopyridine;8-oxo-8-(4-pyridin-3-ylphenyl)octanoic acid;1-(4-pyridin-3-ylphenyl)nonane-1,8-dione has a molecular weight of 1599.66 g/mol, XLogP of 21.97, 36 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-8-oxo-8-(4-pyridin-3-ylphenyl)octanamide;benzene-1,2-diamine;1-(4-bromophenyl)nonane-1,8-dione;3-bromopyridine;8-oxo-8-(4-pyridin-3-ylphenyl)octanoic acid;1-(4-pyridin-3-ylphenyl)nonane-1,8-dione is sourced from PubChem (CID 159990296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).