1-[[4-(1,3-dioxoisoindol-2-yl)phenyl]methyl]-3-(3-hydroxy-2-pyridinyl)urea

C21H16N4O4 — CID 66491225

IUPAC1-[[4-(1,3-dioxoisoindol-2-yl)phenyl]methyl]-3-(3-hydroxy-2-pyridinyl)urea
SMILESO=C(NCc1ccc(N2C(=O)c3ccccc3C2=O)cc1)Nc1ncccc1O
InChIInChI=1S/C21H16N4O4/c26-17-6-3-11-22-18(17)24-21(29)23-12-13-7-9-14(10-8-13)25-19(27)15-4-1-2-5-16(15)20(25)28/h1-11,26H,12H2,(H2,22,23,24,29)
InChIKeyGLBULQAVJVTYIW-UHFFFAOYSA-N
MW388.38 g/mol
LogP2.91
Rot. Bonds4

About 1-[[4-(1,3-dioxoisoindol-2-yl)phenyl]methyl]-3-(3-hydroxy-2-pyridinyl)urea

1-[[4-(1,3-dioxoisoindol-2-yl)phenyl]methyl]-3-(3-hydroxy-2-pyridinyl)urea (PubChem CID 66491225) has the molecular formula C21H16N4O4 and a molecular weight of 388.38 g/mol. Its IUPAC name is 1-[[4-(1,3-dioxoisoindol-2-yl)phenyl]methyl]-3-(3-hydroxy-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[[4-(1,3-dioxoisoindol-2-yl)phenyl]methyl]-3-(3-hydroxy-2-pyridinyl)urea
PubChem CID66491225
Molecular FormulaC21H16N4O4
Molecular Weight388.38 g/mol
Exact Mass388.12
IUPAC Name1-[[4-(1,3-dioxoisoindol-2-yl)phenyl]methyl]-3-(3-hydroxy-2-pyridinyl)urea
SMILESO=C(NCc1ccc(N2C(=O)c3ccccc3C2=O)cc1)Nc1ncccc1O
InChIInChI=1S/C21H16N4O4/c26-17-6-3-11-22-18(17)24-21(29)23-12-13-7-9-14(10-8-13)25-19(27)15-4-1-2-5-16(15)20(25)28/h1-11,26H,12H2,(H2,22,23,24,29)
InChIKeyGLBULQAVJVTYIW-UHFFFAOYSA-N
XLogP2.91
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1,3-dioxoisoindol-2-yl)phenyl]methyl]-3-(3-hydroxy-2-pyridinyl)urea?
The IUPAC name of 1-[[4-(1,3-dioxoisoindol-2-yl)phenyl]methyl]-3-(3-hydroxy-2-pyridinyl)urea (CID 66491225) is 1-[[4-(1,3-dioxoisoindol-2-yl)phenyl]methyl]-3-(3-hydroxy-2-pyridinyl)urea.
What is the SMILES notation for 1-[[4-(1,3-dioxoisoindol-2-yl)phenyl]methyl]-3-(3-hydroxy-2-pyridinyl)urea?
The canonical SMILES for 1-[[4-(1,3-dioxoisoindol-2-yl)phenyl]methyl]-3-(3-hydroxy-2-pyridinyl)urea is O=C(NCc1ccc(N2C(=O)c3ccccc3C2=O)cc1)Nc1ncccc1O.
What is the InChIKey of 1-[[4-(1,3-dioxoisoindol-2-yl)phenyl]methyl]-3-(3-hydroxy-2-pyridinyl)urea?
The InChIKey is GLBULQAVJVTYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O4/c26-17-6-3-11-22-18(17)24-21(29)23-12-13-7-9-14(10-8-13)25-19(27)15-4-1-2-5-16(15)20(25)28/h1-11,26H,12H2,(H2,22,23,24,29).
What are the key properties of 1-[[4-(1,3-dioxoisoindol-2-yl)phenyl]methyl]-3-(3-hydroxy-2-pyridinyl)urea?
1-[[4-(1,3-dioxoisoindol-2-yl)phenyl]methyl]-3-(3-hydroxy-2-pyridinyl)urea has a molecular weight of 388.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1,3-dioxoisoindol-2-yl)phenyl]methyl]-3-(3-hydroxy-2-pyridinyl)urea is sourced from PubChem (CID 66491225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).