1-(2,6-dioxo-1,3,4,10b-tetrahydropyrido[2,1-a]isoindol-10-yl)-3-pyridin-2-ylurea

C18H16N4O3 — CID 67135489

IUPAC1-(2,6-dioxo-1,3,4,10b-tetrahydropyrido[2,1-a]isoindol-10-yl)-3-pyridin-2-ylurea
SMILESO=C1CCN2C(=O)c3cccc(NC(=O)Nc4ccccn4)c3C2C1
InChIInChI=1S/C18H16N4O3/c23-11-7-9-22-14(10-11)16-12(17(22)24)4-3-5-13(16)20-18(25)21-15-6-1-2-8-19-15/h1-6,8,14H,7,9-10H2,(H2,19,20,21,25)
InChIKeyPOPKHYULCRSZPJ-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.59
Rot. Bonds2

About 1-(2,6-dioxo-1,3,4,10b-tetrahydropyrido[2,1-a]isoindol-10-yl)-3-pyridin-2-ylurea

1-(2,6-dioxo-1,3,4,10b-tetrahydropyrido[2,1-a]isoindol-10-yl)-3-pyridin-2-ylurea (PubChem CID 67135489) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 1-(2,6-dioxo-1,3,4,10b-tetrahydropyrido[2,1-a]isoindol-10-yl)-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-(2,6-dioxo-1,3,4,10b-tetrahydropyrido[2,1-a]isoindol-10-yl)-3-pyridin-2-ylurea
PubChem CID67135489
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name1-(2,6-dioxo-1,3,4,10b-tetrahydropyrido[2,1-a]isoindol-10-yl)-3-pyridin-2-ylurea
SMILESO=C1CCN2C(=O)c3cccc(NC(=O)Nc4ccccn4)c3C2C1
InChIInChI=1S/C18H16N4O3/c23-11-7-9-22-14(10-11)16-12(17(22)24)4-3-5-13(16)20-18(25)21-15-6-1-2-8-19-15/h1-6,8,14H,7,9-10H2,(H2,19,20,21,25)
InChIKeyPOPKHYULCRSZPJ-UHFFFAOYSA-N
XLogP2.59
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,6-dioxo-1,3,4,10b-tetrahydropyrido[2,1-a]isoindol-10-yl)-3-pyridin-2-ylurea with MolForge

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Related Compounds

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Gsk2816126
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CID 60147023
2-(butan-2-ylamino)-4-N-[8-[5-(cyclopropanecarbonyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]-5-methylbenzene-1,4-dicarboxamide
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Indole naphthyridinone 30
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(2e)-N-[(1,2-Dimethyl-1h-Indol-3-Yl)methyl]-N-Methyl-3-(7-Oxo-5,6,7,8-Tetrahydro-1,8-Naphthyridin-3-Yl)prop-2-Enamide
CID 6539898
(13E)-8-methyl-21-(6-piperazin-1-yl-3-pyridinyl)-18-propan-2-yl-3,7,18-triazatetracyclo[14.6.1.05,10.019,23]tricosa-1(23),5(10),8,13,16,19,21-heptaene-2,6-dione
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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxo-1,3,4,10b-tetrahydropyrido[2,1-a]isoindol-10-yl)-3-pyridin-2-ylurea?
The IUPAC name of 1-(2,6-dioxo-1,3,4,10b-tetrahydropyrido[2,1-a]isoindol-10-yl)-3-pyridin-2-ylurea (CID 67135489) is 1-(2,6-dioxo-1,3,4,10b-tetrahydropyrido[2,1-a]isoindol-10-yl)-3-pyridin-2-ylurea.
What is the SMILES notation for 1-(2,6-dioxo-1,3,4,10b-tetrahydropyrido[2,1-a]isoindol-10-yl)-3-pyridin-2-ylurea?
The canonical SMILES for 1-(2,6-dioxo-1,3,4,10b-tetrahydropyrido[2,1-a]isoindol-10-yl)-3-pyridin-2-ylurea is O=C1CCN2C(=O)c3cccc(NC(=O)Nc4ccccn4)c3C2C1.
What is the InChIKey of 1-(2,6-dioxo-1,3,4,10b-tetrahydropyrido[2,1-a]isoindol-10-yl)-3-pyridin-2-ylurea?
The InChIKey is POPKHYULCRSZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c23-11-7-9-22-14(10-11)16-12(17(22)24)4-3-5-13(16)20-18(25)21-15-6-1-2-8-19-15/h1-6,8,14H,7,9-10H2,(H2,19,20,21,25).
What are the key properties of 1-(2,6-dioxo-1,3,4,10b-tetrahydropyrido[2,1-a]isoindol-10-yl)-3-pyridin-2-ylurea?
1-(2,6-dioxo-1,3,4,10b-tetrahydropyrido[2,1-a]isoindol-10-yl)-3-pyridin-2-ylurea has a molecular weight of 336.35 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxo-1,3,4,10b-tetrahydropyrido[2,1-a]isoindol-10-yl)-3-pyridin-2-ylurea is sourced from PubChem (CID 67135489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).