3-(3,4-dihydroxyphenyl)-N-(6-methoxy-2-pyridinyl)-3-oxopropanamide;2-hydroxy-5-[4-[3-[(6-methoxy-2-pyridinyl)amino]-3-oxopropanoyl]phenyl]benzoic acid;3-(4-hydroxyphenyl)-N-(4-methoxy-2-pyridinyl)-3-oxopropanamide;2-methoxy-5-[4-[3-[(6-methoxy-2-pyridinyl)amino]-3-oxopropanoyl]phenyl]benzoic acid

C75H66N8O21 — CID 163845264

IUPAC3-(3,4-dihydroxyphenyl)-N-(6-methoxy-2-pyridinyl)-3-oxopropanamide;2-hydroxy-5-[4-[3-[(6-methoxy-2-pyridinyl)amino]-3-oxopropanoyl]phenyl]benzoic acid;3-(4-hydroxyphenyl)-N-(4-methoxy-2-pyridinyl)-3-oxopropanamide;2-methoxy-5-[4-[3-[(6-methoxy-2-pyridinyl)amino]-3-oxopropanoyl]phenyl]benzoic acid
SMILESCOc1cccc(NC(=O)CC(=O)c2ccc(-c3ccc(O)c(C(=O)O)c3)cc2)n1.COc1cccc(NC(=O)CC(=O)c2ccc(-c3ccc(OC)c(C(=O)O)c3)cc2)n1.COc1cccc(NC(=O)CC(=O)c2ccc(O)c(O)c2)n1.COc1ccnc(NC(=O)CC(=O)c2ccc(O)cc2)c1
InChIInChI=1S/C23H20N2O6.C22H18N2O6.C15H14N2O5.C15H14N2O4/c1-30-19-11-10-16(12-17(19)23(28)29)14-6-8-15(9-7-14)18(26)13-21(27)24-20-4-3-5-22(25-20)31-2;1-30-21-4-2-3-19(24-21)23-20(27)12-18(26)14-7-5-13(6-8-14)15-9-10-17(25)16(11-15)22(28)29;1-22-15-4-2-3-13(17-15)16-14(21)8-11(19)9-5-6-10(18)12(20)7-9;1-21-12-6-7-16-14(8-12)17-15(20)9-13(19)10-2-4-11(18)5-3-10/h3-12H,13H2,1-2H3,(H,28,29)(H,24,25,27);2-11,25H,12H2,1H3,(H,28,29)(H,23,24,27);2-7,18,20H,8H2,1H3,(H,16,17,21);2-8,18H,9H2,1H3,(H,16,17,20)
InChIKeyOPPCFVUAIPWZJB-UHFFFAOYSA-N
MW1415.39 g/mol
LogP10.77
Rot. Bonds25

About 3-(3,4-dihydroxyphenyl)-N-(6-methoxy-2-pyridinyl)-3-oxopropanamide;2-hydroxy-5-[4-[3-[(6-methoxy-2-pyridinyl)amino]-3-oxopropanoyl]phenyl]benzoic acid;3-(4-hydroxyphenyl)-N-(4-methoxy-2-pyridinyl)-3-oxopropanamide;2-methoxy-5-[4-[3-[(6-methoxy-2-pyridinyl)amino]-3-oxopropanoyl]phenyl]benzoic acid

3-(3,4-dihydroxyphenyl)-N-(6-methoxy-2-pyridinyl)-3-oxopropanamide;2-hydroxy-5-[4-[3-[(6-methoxy-2-pyridinyl)amino]-3-oxopropanoyl]phenyl]benzoic acid;3-(4-hydroxyphenyl)-N-(4-methoxy-2-pyridinyl)-3-oxopropanamide;2-methoxy-5-[4-[3-[(6-methoxy-2-pyridinyl)amino]-3-oxopropanoyl]phenyl]benzoic acid (PubChem CID 163845264) has the molecular formula C75H66N8O21 and a molecular weight of 1415.39 g/mol. Its IUPAC name is 3-(3,4-dihydroxyphenyl)-N-(6-methoxy-2-pyridinyl)-3-oxopropanamide;2-hydroxy-5-[4-[3-[(6-methoxy-2-pyridinyl)amino]-3-oxopropanoyl]phenyl]benzoic acid;3-(4-hydroxyphenyl)-N-(4-methoxy-2-pyridinyl)-3-oxopropanamide;2-methoxy-5-[4-[3-[(6-methoxy-2-pyridinyl)amino]-3-oxopropanoyl]phenyl]benzoic acid.

Molecular Properties

Compound Name3-(3,4-dihydroxyphenyl)-N-(6-methoxy-2-pyridinyl)-3-oxopropanamide;2-hydroxy-5-[4-[3-[(6-methoxy-2-pyridinyl)amino]-3-oxopropanoyl]phenyl]benzoic acid;3-(4-hydroxyphenyl)-N-(4-methoxy-2-pyridinyl)-3-oxopropanamide;2-methoxy-5-[4-[3-[(6-methoxy-2-pyridinyl)amino]-3-oxopropanoyl]phenyl]benzoic acid
PubChem CID163845264
Molecular FormulaC75H66N8O21
Molecular Weight1415.39 g/mol
Exact Mass1414.43
IUPAC Name3-(3,4-dihydroxyphenyl)-N-(6-methoxy-2-pyridinyl)-3-oxopropanamide;2-hydroxy-5-[4-[3-[(6-methoxy-2-pyridinyl)amino]-3-oxopropanoyl]phenyl]benzoic acid;3-(4-hydroxyphenyl)-N-(4-methoxy-2-pyridinyl)-3-oxopropanamide;2-methoxy-5-[4-[3-[(6-methoxy-2-pyridinyl)amino]-3-oxopropanoyl]phenyl]benzoic acid
SMILESCOc1cccc(NC(=O)CC(=O)c2ccc(-c3ccc(O)c(C(=O)O)c3)cc2)n1.COc1cccc(NC(=O)CC(=O)c2ccc(-c3ccc(OC)c(C(=O)O)c3)cc2)n1.COc1cccc(NC(=O)CC(=O)c2ccc(O)c(O)c2)n1.COc1ccnc(NC(=O)CC(=O)c2ccc(O)cc2)c1
InChIInChI=1S/C23H20N2O6.C22H18N2O6.C15H14N2O5.C15H14N2O4/c1-30-19-11-10-16(12-17(19)23(28)29)14-6-8-15(9-7-14)18(26)13-21(27)24-20-4-3-5-22(25-20)31-2;1-30-21-4-2-3-19(24-21)23-20(27)12-18(26)14-7-5-13(6-8-14)15-9-10-17(25)16(11-15)22(28)29;1-22-15-4-2-3-13(17-15)16-14(21)8-11(19)9-5-6-10(18)12(20)7-9;1-21-12-6-7-16-14(8-12)17-15(20)9-13(19)10-2-4-11(18)5-3-10/h3-12H,13H2,1-2H3,(H,28,29)(H,24,25,27);2-11,25H,12H2,1H3,(H,28,29)(H,23,24,27);2-7,18,20H,8H2,1H3,(H,16,17,21);2-8,18H,9H2,1H3,(H,16,17,20)
InChIKeyOPPCFVUAIPWZJB-UHFFFAOYSA-N
XLogP10.77
TPSA437.91 Ų
H-Bond Donors10
H-Bond Acceptors23
Rotatable Bonds25
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001415.39
LogP ≤ 510.77
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 3-(3,4-dihydroxyphenyl)-N-(6-methoxy-2-pyridinyl)-3-oxopropanamide;2-hydroxy-5-[4-[3-[(6-methoxy-2-pyridinyl)amino]-3-oxopropanoyl]phenyl]benzoic acid;3-(4-hydroxyphenyl)-N-(4-methoxy-2-pyridinyl)-3-oxopropanamide;2-methoxy-5-[4-[3-[(6-methoxy-2-pyridinyl)amino]-3-oxopropanoyl]phenyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-hydroxy-5-[4-[3-[(6-methoxy-2-pyridinyl)amino]-3-oxopropanoyl]phenyl]phenyl] formate
CID 162769995
[2-hydroxy-5-[4-[3-[(6-methoxy-2-pyridinyl)amino]-3-oxopropanoyl]phenyl]phenyl] formate;[2-methoxy-5-[4-[3-[(6-methoxy-2-pyridinyl)amino]-3-oxopropanoyl]phenyl]phenyl] formate;tribromoborane
CID 163596737
ethyl 3-(4-methylphenyl)-3-oxopropanoate;3-(4-hydroxyphenyl)-N-(4-methoxy-2-pyridinyl)-3-oxopropanamide;4-methoxypyridin-2-amine;N-(4-methoxy-2-pyridinyl)-3-(4-methylphenyl)-3-oxopropanamide
CID 163852253
4-(3,4-dimethoxyphenyl)-N-[4-(4-hydroxyphenyl)-6-phenyl-2-pyridinyl]-4-oxobutanamide
CID 135407960
2-hydroxy-5-(3-methoxyphenyl)benzoic acid
CID 4564140
N,3-bis(3,4-dihydroxyphenyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(3-fluoro-4-hydroxyphenyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(5-hydroxy-2-pyridinyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(2-methoxy-4-pyridinyl)-3-oxopropanamide;3-(3,4-dihydroxyphenyl)-N-(5-methoxy-2-pyridinyl)-3-oxopropanamide;2-[[3-(3,4-dihydroxyphenyl)-3-oxopropanoyl]amino]-4-hydroxybenzoic acid;3-(3,4-dimethoxyphenyl)-N-(6-methoxy-2-pyridinyl)-3-oxopropanamide;2-(4-hydroxyphenyl)-1H-pyrido[1,2-a]pyrimidine-4,8-dione
CID 163966783
3,4,5-trimethoxy-N-(6-methoxy-2-pyridinyl)benzamide
CID 171387606
2-bromo-1-[2-methoxy-5-(4-methoxyphenyl)phenyl]ethanone
CID 59113906
3-[4-(2-hydroxy-4-methoxyphenyl)phenyl]-3-oxo-N-pyridin-2-ylpropanethioamide
CID 142992017
1-(4-tert-butylphenyl)-3-(2-hydroxy-5-methoxyphenyl)propane-1,3-dione
CID 877592
1-(2-hydroxy-4-methoxyphenyl)-3-phenylpropane-1,3-dione
CID 11414548
2-[(2,5-dihydroxybenzoyl)amino]pyridine-4-carboxylic acid
CID 136903643

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydroxyphenyl)-N-(6-methoxy-2-pyridinyl)-3-oxopropanamide;2-hydroxy-5-[4-[3-[(6-methoxy-2-pyridinyl)amino]-3-oxopropanoyl]phenyl]benzoic acid;3-(4-hydroxyphenyl)-N-(4-methoxy-2-pyridinyl)-3-oxopropanamide;2-methoxy-5-[4-[3-[(6-methoxy-2-pyridinyl)amino]-3-oxopropanoyl]phenyl]benzoic acid?
The IUPAC name of 3-(3,4-dihydroxyphenyl)-N-(6-methoxy-2-pyridinyl)-3-oxopropanamide;2-hydroxy-5-[4-[3-[(6-methoxy-2-pyridinyl)amino]-3-oxopropanoyl]phenyl]benzoic acid;3-(4-hydroxyphenyl)-N-(4-methoxy-2-pyridinyl)-3-oxopropanamide;2-methoxy-5-[4-[3-[(6-methoxy-2-pyridinyl)amino]-3-oxopropanoyl]phenyl]benzoic acid (CID 163845264) is 3-(3,4-dihydroxyphenyl)-N-(6-methoxy-2-pyridinyl)-3-oxopropanamide;2-hydroxy-5-[4-[3-[(6-methoxy-2-pyridinyl)amino]-3-oxopropanoyl]phenyl]benzoic acid;3-(4-hydroxyphenyl)-N-(4-methoxy-2-pyridinyl)-3-oxopropanamide;2-methoxy-5-[4-[3-[(6-methoxy-2-pyridinyl)amino]-3-oxopropanoyl]phenyl]benzoic acid.
What is the SMILES notation for 3-(3,4-dihydroxyphenyl)-N-(6-methoxy-2-pyridinyl)-3-oxopropanamide;2-hydroxy-5-[4-[3-[(6-methoxy-2-pyridinyl)amino]-3-oxopropanoyl]phenyl]benzoic acid;3-(4-hydroxyphenyl)-N-(4-methoxy-2-pyridinyl)-3-oxopropanamide;2-methoxy-5-[4-[3-[(6-methoxy-2-pyridinyl)amino]-3-oxopropanoyl]phenyl]benzoic acid?
The canonical SMILES for 3-(3,4-dihydroxyphenyl)-N-(6-methoxy-2-pyridinyl)-3-oxopropanamide;2-hydroxy-5-[4-[3-[(6-methoxy-2-pyridinyl)amino]-3-oxopropanoyl]phenyl]benzoic acid;3-(4-hydroxyphenyl)-N-(4-methoxy-2-pyridinyl)-3-oxopropanamide;2-methoxy-5-[4-[3-[(6-methoxy-2-pyridinyl)amino]-3-oxopropanoyl]phenyl]benzoic acid is COc1cccc(NC(=O)CC(=O)c2ccc(-c3ccc(O)c(C(=O)O)c3)cc2)n1.COc1cccc(NC(=O)CC(=O)c2ccc(-c3ccc(OC)c(C(=O)O)c3)cc2)n1.COc1cccc(NC(=O)CC(=O)c2ccc(O)c(O)c2)n1.COc1ccnc(NC(=O)CC(=O)c2ccc(O)cc2)c1.
What is the InChIKey of 3-(3,4-dihydroxyphenyl)-N-(6-methoxy-2-pyridinyl)-3-oxopropanamide;2-hydroxy-5-[4-[3-[(6-methoxy-2-pyridinyl)amino]-3-oxopropanoyl]phenyl]benzoic acid;3-(4-hydroxyphenyl)-N-(4-methoxy-2-pyridinyl)-3-oxopropanamide;2-methoxy-5-[4-[3-[(6-methoxy-2-pyridinyl)amino]-3-oxopropanoyl]phenyl]benzoic acid?
The InChIKey is OPPCFVUAIPWZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O6.C22H18N2O6.C15H14N2O5.C15H14N2O4/c1-30-19-11-10-16(12-17(19)23(28)29)14-6-8-15(9-7-14)18(26)13-21(27)24-20-4-3-5-22(25-20)31-2;1-30-21-4-2-3-19(24-21)23-20(27)12-18(26)14-7-5-13(6-8-14)15-9-10-17(25)16(11-15)22(28)29;1-22-15-4-2-3-13(17-15)16-14(21)8-11(19)9-5-6-10(18)12(20)7-9;1-21-12-6-7-16-14(8-12)17-15(20)9-13(19)10-2-4-11(18)5-3-10/h3-12H,13H2,1-2H3,(H,28,29)(H,24,25,27);2-11,25H,12H2,1H3,(H,28,29)(H,23,24,27);2-7,18,20H,8H2,1H3,(H,16,17,21);2-8,18H,9H2,1H3,(H,16,17,20).
What are the key properties of 3-(3,4-dihydroxyphenyl)-N-(6-methoxy-2-pyridinyl)-3-oxopropanamide;2-hydroxy-5-[4-[3-[(6-methoxy-2-pyridinyl)amino]-3-oxopropanoyl]phenyl]benzoic acid;3-(4-hydroxyphenyl)-N-(4-methoxy-2-pyridinyl)-3-oxopropanamide;2-methoxy-5-[4-[3-[(6-methoxy-2-pyridinyl)amino]-3-oxopropanoyl]phenyl]benzoic acid?
3-(3,4-dihydroxyphenyl)-N-(6-methoxy-2-pyridinyl)-3-oxopropanamide;2-hydroxy-5-[4-[3-[(6-methoxy-2-pyridinyl)amino]-3-oxopropanoyl]phenyl]benzoic acid;3-(4-hydroxyphenyl)-N-(4-methoxy-2-pyridinyl)-3-oxopropanamide;2-methoxy-5-[4-[3-[(6-methoxy-2-pyridinyl)amino]-3-oxopropanoyl]phenyl]benzoic acid has a molecular weight of 1415.39 g/mol, XLogP of 10.77, 25 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydroxyphenyl)-N-(6-methoxy-2-pyridinyl)-3-oxopropanamide;2-hydroxy-5-[4-[3-[(6-methoxy-2-pyridinyl)amino]-3-oxopropanoyl]phenyl]benzoic acid;3-(4-hydroxyphenyl)-N-(4-methoxy-2-pyridinyl)-3-oxopropanamide;2-methoxy-5-[4-[3-[(6-methoxy-2-pyridinyl)amino]-3-oxopropanoyl]phenyl]benzoic acid is sourced from PubChem (CID 163845264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).