1-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-3-pyridin-2-ylurea

C20H20N4O4 — CID 67134733

IUPAC1-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-3-pyridin-2-ylurea
SMILESO=C(Nc1ccccn1)Nc1cccc2c1C1CC3(CCN1C2=O)OCCO3
InChIInChI=1S/C20H20N4O4/c25-18-13-4-3-5-14(22-19(26)23-16-6-1-2-8-21-16)17(13)15-12-20(7-9-24(15)18)27-10-11-28-20/h1-6,8,15H,7,9-12H2,(H2,21,22,23,26)
InChIKeyCLICWNXOVVYVTM-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.76
Rot. Bonds2

About 1-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-3-pyridin-2-ylurea

1-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-3-pyridin-2-ylurea (PubChem CID 67134733) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 1-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-3-pyridin-2-ylurea
PubChem CID67134733
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name1-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-3-pyridin-2-ylurea
SMILESO=C(Nc1ccccn1)Nc1cccc2c1C1CC3(CCN1C2=O)OCCO3
InChIInChI=1S/C20H20N4O4/c25-18-13-4-3-5-14(22-19(26)23-16-6-1-2-8-21-16)17(13)15-12-20(7-9-24(15)18)27-10-11-28-20/h1-6,8,15H,7,9-12H2,(H2,21,22,23,26)
InChIKeyCLICWNXOVVYVTM-UHFFFAOYSA-N
XLogP2.76
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-3-pyridin-2-ylurea?
The IUPAC name of 1-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-3-pyridin-2-ylurea (CID 67134733) is 1-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-3-pyridin-2-ylurea.
What is the SMILES notation for 1-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-3-pyridin-2-ylurea?
The canonical SMILES for 1-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-3-pyridin-2-ylurea is O=C(Nc1ccccn1)Nc1cccc2c1C1CC3(CCN1C2=O)OCCO3.
What is the InChIKey of 1-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-3-pyridin-2-ylurea?
The InChIKey is CLICWNXOVVYVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c25-18-13-4-3-5-14(22-19(26)23-16-6-1-2-8-21-16)17(13)15-12-20(7-9-24(15)18)27-10-11-28-20/h1-6,8,15H,7,9-12H2,(H2,21,22,23,26).
What are the key properties of 1-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-3-pyridin-2-ylurea?
1-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-3-pyridin-2-ylurea has a molecular weight of 380.40 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-3-pyridin-2-ylurea is sourced from PubChem (CID 67134733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).