1-(5-methyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea

C19H20N4O2 — CID 67283393

IUPAC1-(5-methyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
SMILESCc1ccc(NC(=O)Nc2cccc3c2C2CCCCN2C3=O)nc1
InChIInChI=1S/C19H20N4O2/c1-12-8-9-16(20-11-12)22-19(25)21-14-6-4-5-13-17(14)15-7-2-3-10-23(15)18(13)24/h4-6,8-9,11,15H,2-3,7,10H2,1H3,(H2,20,21,22,25)
InChIKeyURMALQKFRQFSGH-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.71
Rot. Bonds2

About 1-(5-methyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea

1-(5-methyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea (PubChem CID 67283393) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-(5-methyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea.

Molecular Properties

Compound Name1-(5-methyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
PubChem CID67283393
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1-(5-methyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
SMILESCc1ccc(NC(=O)Nc2cccc3c2C2CCCCN2C3=O)nc1
InChIInChI=1S/C19H20N4O2/c1-12-8-9-16(20-11-12)22-19(25)21-14-6-4-5-13-17(14)15-7-2-3-10-23(15)18(13)24/h4-6,8-9,11,15H,2-3,7,10H2,1H3,(H2,20,21,22,25)
InChIKeyURMALQKFRQFSGH-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-(5-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-(5-methyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea (CID 67283393) is 1-(5-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-(5-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-(5-methyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea is Cc1ccc(NC(=O)Nc2cccc3c2C2CCCCN2C3=O)nc1.
What is the InChIKey of 1-(5-methyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea?
The InChIKey is URMALQKFRQFSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12-8-9-16(20-11-12)22-19(25)21-14-6-4-5-13-17(14)15-7-2-3-10-23(15)18(13)24/h4-6,8-9,11,15H,2-3,7,10H2,1H3,(H2,20,21,22,25).
What are the key properties of 1-(5-methyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea?
1-(5-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-(5-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 67283393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).