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

C19H18N4O3 — CID 127034001

IUPAC1-(6-formyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
SMILESO=Cc1cccc(NC(=O)Nc2cccc3c2C2CCCCN2C3=O)n1
InChIInChI=1S/C19H18N4O3/c24-11-12-5-3-9-16(20-12)22-19(26)21-14-7-4-6-13-17(14)15-8-1-2-10-23(15)18(13)25/h3-7,9,11,15H,1-2,8,10H2,(H2,20,21,22,26)
InChIKeyMZWFSHNLGOBBSZ-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.22
Rot. Bonds3

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

1-(6-formyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea (PubChem CID 127034001) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 1-(6-formyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea.

Molecular Properties

Compound Name1-(6-formyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
PubChem CID127034001
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name1-(6-formyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
SMILESO=Cc1cccc(NC(=O)Nc2cccc3c2C2CCCCN2C3=O)n1
InChIInChI=1S/C19H18N4O3/c24-11-12-5-3-9-16(20-12)22-19(26)21-14-7-4-6-13-17(14)15-8-1-2-10-23(15)18(13)25/h3-7,9,11,15H,1-2,8,10H2,(H2,20,21,22,26)
InChIKeyMZWFSHNLGOBBSZ-UHFFFAOYSA-N
XLogP3.22
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-formyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea?
The IUPAC name of 1-(6-formyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea (CID 127034001) is 1-(6-formyl-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-(6-formyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea?
The canonical SMILES for 1-(6-formyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea is O=Cc1cccc(NC(=O)Nc2cccc3c2C2CCCCN2C3=O)n1.
What is the InChIKey of 1-(6-formyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea?
The InChIKey is MZWFSHNLGOBBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c24-11-12-5-3-9-16(20-12)22-19(26)21-14-7-4-6-13-17(14)15-8-1-2-10-23(15)18(13)25/h3-7,9,11,15H,1-2,8,10H2,(H2,20,21,22,26).
What are the key properties of 1-(6-formyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea?
1-(6-formyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea has a molecular weight of 350.38 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-formyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea is sourced from PubChem (CID 127034001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).