1-(2-hydroxyethyl)-3-[4-(pyridin-4-ylmethoxy)anilino]pyrrole-2,5-dione

C18H17N3O4 — CID 168558973

IUPAC1-(2-hydroxyethyl)-3-[4-(pyridin-4-ylmethoxy)anilino]pyrrole-2,5-dione
SMILESO=C1C=C(Nc2ccc(OCc3ccncc3)cc2)C(=O)N1CCO
InChIInChI=1S/C18H17N3O4/c22-10-9-21-17(23)11-16(18(21)24)20-14-1-3-15(4-2-14)25-12-13-5-7-19-8-6-13/h1-8,11,20,22H,9-10,12H2
InChIKeyVPRFCLGQAXFVQF-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.32
Rot. Bonds7

About 1-(2-hydroxyethyl)-3-[4-(pyridin-4-ylmethoxy)anilino]pyrrole-2,5-dione

1-(2-hydroxyethyl)-3-[4-(pyridin-4-ylmethoxy)anilino]pyrrole-2,5-dione (PubChem CID 168558973) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[4-(pyridin-4-ylmethoxy)anilino]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[4-(pyridin-4-ylmethoxy)anilino]pyrrole-2,5-dione
PubChem CID168558973
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name1-(2-hydroxyethyl)-3-[4-(pyridin-4-ylmethoxy)anilino]pyrrole-2,5-dione
SMILESO=C1C=C(Nc2ccc(OCc3ccncc3)cc2)C(=O)N1CCO
InChIInChI=1S/C18H17N3O4/c22-10-9-21-17(23)11-16(18(21)24)20-14-1-3-15(4-2-14)25-12-13-5-7-19-8-6-13/h1-8,11,20,22H,9-10,12H2
InChIKeyVPRFCLGQAXFVQF-UHFFFAOYSA-N
XLogP1.32
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxyethyl)-3-[4-(thiophen-2-ylmethoxy)anilino]pyrrole-2,5-dione
CID 168559299
3-[4-[(1,5-dimethylpyrazol-4-yl)methoxy]anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168559042
1-(2-hydroxyethyl)-3-[4-(3-phenylpropoxy)anilino]pyrrole-2,5-dione
CID 168560103
1-(2-hydroxyethyl)-3-(4-propan-2-yloxyanilino)pyrrole-2,5-dione
CID 168560112
3-(4-chloroanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 16647775
1-(2-hydroxyethyl)-3-[4-(3-methoxyphenoxy)anilino]pyrrole-2,5-dione
CID 168556374
N-[2-[4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]ethyl]acetamide
CID 168557400
3-[4-[2,6-dichloro-4-(trifluoromethyl)phenoxy]anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168559584
3-[4-[(4-bromopyrazol-1-yl)methyl]anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168559639
2-hydroxy-4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzenesulfonic acid
CID 168558914
1-(2-hydroxyethyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)anilino]pyrrole-2,5-dione
CID 168557966
4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-phenylethyl)benzamide
CID 168560843

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[4-(pyridin-4-ylmethoxy)anilino]pyrrole-2,5-dione?
The IUPAC name of 1-(2-hydroxyethyl)-3-[4-(pyridin-4-ylmethoxy)anilino]pyrrole-2,5-dione (CID 168558973) is 1-(2-hydroxyethyl)-3-[4-(pyridin-4-ylmethoxy)anilino]pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[4-(pyridin-4-ylmethoxy)anilino]pyrrole-2,5-dione?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[4-(pyridin-4-ylmethoxy)anilino]pyrrole-2,5-dione is O=C1C=C(Nc2ccc(OCc3ccncc3)cc2)C(=O)N1CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[4-(pyridin-4-ylmethoxy)anilino]pyrrole-2,5-dione?
The InChIKey is VPRFCLGQAXFVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c22-10-9-21-17(23)11-16(18(21)24)20-14-1-3-15(4-2-14)25-12-13-5-7-19-8-6-13/h1-8,11,20,22H,9-10,12H2.
What are the key properties of 1-(2-hydroxyethyl)-3-[4-(pyridin-4-ylmethoxy)anilino]pyrrole-2,5-dione?
1-(2-hydroxyethyl)-3-[4-(pyridin-4-ylmethoxy)anilino]pyrrole-2,5-dione has a molecular weight of 339.35 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[4-(pyridin-4-ylmethoxy)anilino]pyrrole-2,5-dione is sourced from PubChem (CID 168558973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).