1-[3,4-dihydroxy-1-(4-methoxyphenyl)-5-pyridin-2-ylpyrrol-2-yl]ethanone

C18H16N2O4 — CID 136954770

IUPAC1-[3,4-dihydroxy-1-(4-methoxyphenyl)-5-pyridin-2-ylpyrrol-2-yl]ethanone
SMILESCOc1ccc(-n2c(C(C)=O)c(O)c(O)c2-c2ccccn2)cc1
InChIInChI=1S/C18H16N2O4/c1-11(21)15-17(22)18(23)16(14-5-3-4-10-19-14)20(15)12-6-8-13(24-2)9-7-12/h3-10,22-23H,1-2H3
InChIKeyGHJIGTPWLFXTKA-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.16
Rot. Bonds4

About 1-[3,4-dihydroxy-1-(4-methoxyphenyl)-5-pyridin-2-ylpyrrol-2-yl]ethanone

1-[3,4-dihydroxy-1-(4-methoxyphenyl)-5-pyridin-2-ylpyrrol-2-yl]ethanone (PubChem CID 136954770) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 1-[3,4-dihydroxy-1-(4-methoxyphenyl)-5-pyridin-2-ylpyrrol-2-yl]ethanone.

Molecular Properties

Compound Name1-[3,4-dihydroxy-1-(4-methoxyphenyl)-5-pyridin-2-ylpyrrol-2-yl]ethanone
PubChem CID136954770
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name1-[3,4-dihydroxy-1-(4-methoxyphenyl)-5-pyridin-2-ylpyrrol-2-yl]ethanone
SMILESCOc1ccc(-n2c(C(C)=O)c(O)c(O)c2-c2ccccn2)cc1
InChIInChI=1S/C18H16N2O4/c1-11(21)15-17(22)18(23)16(14-5-3-4-10-19-14)20(15)12-6-8-13(24-2)9-7-12/h3-10,22-23H,1-2H3
InChIKeyGHJIGTPWLFXTKA-UHFFFAOYSA-N
XLogP3.16
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[3,4-dihydroxy-1-(4-methoxyphenyl)-5-pyridin-2-ylpyrrol-2-yl]ethanone 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-[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine;dihydrate
CID 139068037
[4,5-dihydroxy-1-[4-(1,2-oxazol-3-yl)phenyl]-2-pyridin-2-ylpyrrol-3-yl]-(4-methoxyphenyl)methanone
CID 136609242
2-[[4-(4-methoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
CID 1456142
2-[[4-(4-methoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)acetamide
CID 1456347
magnesium;5-acetyl-3,4-dihydroxy-1-(4-methoxyphenyl)-N,N-dimethylpyrrole-2-carboxamide;bis(5-acetyl-1-(4-methoxyphenyl)-N,N,4-trimethyl-3-phenylmethoxypyrrole-2-carboxamide);propane;chloride
CID 160735331
N-[(2S)-butan-2-yl]-2-[[4-(4-methoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1456344
2-(4-methoxyphenyl)-5-pyridin-2-yl-4H-1,2,4-triazol-3-one
CID 136863153
(4-methoxyphenyl)-(2-pyridin-2-ylphenyl)methanone
CID 102294029
copper;2,6-dipyridin-2-ylpyridine;diacetate;hydrate
CID 139207056
sodium 4-methoxy-6-pyridin-2-ylpyridine-2-carboxylate
CID 71528602
5-methoxy-2-pyridin-2-ylpyridine
CID 604153
acetic acid;4-[1-(4-methoxyphenyl)-2,2-diphenylethenyl]phenol
CID 71403634

Frequently Asked Questions

What is the IUPAC name of 1-[3,4-dihydroxy-1-(4-methoxyphenyl)-5-pyridin-2-ylpyrrol-2-yl]ethanone?
The IUPAC name of 1-[3,4-dihydroxy-1-(4-methoxyphenyl)-5-pyridin-2-ylpyrrol-2-yl]ethanone (CID 136954770) is 1-[3,4-dihydroxy-1-(4-methoxyphenyl)-5-pyridin-2-ylpyrrol-2-yl]ethanone.
What is the SMILES notation for 1-[3,4-dihydroxy-1-(4-methoxyphenyl)-5-pyridin-2-ylpyrrol-2-yl]ethanone?
The canonical SMILES for 1-[3,4-dihydroxy-1-(4-methoxyphenyl)-5-pyridin-2-ylpyrrol-2-yl]ethanone is COc1ccc(-n2c(C(C)=O)c(O)c(O)c2-c2ccccn2)cc1.
What is the InChIKey of 1-[3,4-dihydroxy-1-(4-methoxyphenyl)-5-pyridin-2-ylpyrrol-2-yl]ethanone?
The InChIKey is GHJIGTPWLFXTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-11(21)15-17(22)18(23)16(14-5-3-4-10-19-14)20(15)12-6-8-13(24-2)9-7-12/h3-10,22-23H,1-2H3.
What are the key properties of 1-[3,4-dihydroxy-1-(4-methoxyphenyl)-5-pyridin-2-ylpyrrol-2-yl]ethanone?
1-[3,4-dihydroxy-1-(4-methoxyphenyl)-5-pyridin-2-ylpyrrol-2-yl]ethanone has a molecular weight of 324.34 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,4-dihydroxy-1-(4-methoxyphenyl)-5-pyridin-2-ylpyrrol-2-yl]ethanone is sourced from PubChem (CID 136954770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).