1-(3-methyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea

C19H20N4O2 — CID 46909508

IUPAC1-(3-methyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
SMILESCc1cccnc1NC(=O)Nc1cccc2c1C1CCCCN1C2=O
InChIInChI=1S/C19H20N4O2/c1-12-6-5-10-20-17(12)22-19(25)21-14-8-4-7-13-16(14)15-9-2-3-11-23(15)18(13)24/h4-8,10,15H,2-3,9,11H2,1H3,(H2,20,21,22,25)
InChIKeyYWZXVOUKTPVGKU-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.71
Rot. Bonds2

About 1-(3-methyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea

1-(3-methyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea (PubChem CID 46909508) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-(3-methyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea.

Molecular Properties

Compound Name1-(3-methyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
PubChem CID46909508
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1-(3-methyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
SMILESCc1cccnc1NC(=O)Nc1cccc2c1C1CCCCN1C2=O
InChIInChI=1S/C19H20N4O2/c1-12-6-5-10-20-17(12)22-19(25)21-14-8-4-7-13-16(14)15-9-2-3-11-23(15)18(13)24/h4-8,10,15H,2-3,9,11H2,1H3,(H2,20,21,22,25)
InChIKeyYWZXVOUKTPVGKU-UHFFFAOYSA-N
XLogP3.71
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea?
The IUPAC name of 1-(3-methyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea (CID 46909508) is 1-(3-methyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea.
What is the SMILES notation for 1-(3-methyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea?
The canonical SMILES for 1-(3-methyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea is Cc1cccnc1NC(=O)Nc1cccc2c1C1CCCCN1C2=O.
What is the InChIKey of 1-(3-methyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea?
The InChIKey is YWZXVOUKTPVGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12-6-5-10-20-17(12)22-19(25)21-14-8-4-7-13-16(14)15-9-2-3-11-23(15)18(13)24/h4-8,10,15H,2-3,9,11H2,1H3,(H2,20,21,22,25).
What are the key properties of 1-(3-methyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea?
1-(3-methyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea has a molecular weight of 336.40 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea is sourced from PubChem (CID 46909508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).