1-(3-cyano-1-methylindol-6-yl)-3-phenylurea

C17H14N4O — CID 510913

IUPAC1-(3-cyano-1-methylindol-6-yl)-3-phenylurea
SMILESCn1cc(C#N)c2ccc(NC(=O)Nc3ccccc3)cc21
InChIInChI=1S/C17H14N4O/c1-21-11-12(10-18)15-8-7-14(9-16(15)21)20-17(22)19-13-5-3-2-4-6-13/h2-9,11H,1H3,(H2,19,20,22)
InChIKeyDKHWZIZMXRFFLI-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.69
Rot. Bonds2

About 1-(3-cyano-1-methylindol-6-yl)-3-phenylurea

1-(3-cyano-1-methylindol-6-yl)-3-phenylurea (PubChem CID 510913) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 1-(3-cyano-1-methylindol-6-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(3-cyano-1-methylindol-6-yl)-3-phenylurea
PubChem CID510913
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name1-(3-cyano-1-methylindol-6-yl)-3-phenylurea
SMILESCn1cc(C#N)c2ccc(NC(=O)Nc3ccccc3)cc21
InChIInChI=1S/C17H14N4O/c1-21-11-12(10-18)15-8-7-14(9-16(15)21)20-17(22)19-13-5-3-2-4-6-13/h2-9,11H,1H3,(H2,19,20,22)
InChIKeyDKHWZIZMXRFFLI-UHFFFAOYSA-N
XLogP3.69
TPSA69.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-cyano-1-methylindol-6-yl)-3-phenylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyano-1-methylindol-6-yl)-3-phenylurea?
The IUPAC name of 1-(3-cyano-1-methylindol-6-yl)-3-phenylurea (CID 510913) is 1-(3-cyano-1-methylindol-6-yl)-3-phenylurea.
What is the SMILES notation for 1-(3-cyano-1-methylindol-6-yl)-3-phenylurea?
The canonical SMILES for 1-(3-cyano-1-methylindol-6-yl)-3-phenylurea is Cn1cc(C#N)c2ccc(NC(=O)Nc3ccccc3)cc21.
What is the InChIKey of 1-(3-cyano-1-methylindol-6-yl)-3-phenylurea?
The InChIKey is DKHWZIZMXRFFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-21-11-12(10-18)15-8-7-14(9-16(15)21)20-17(22)19-13-5-3-2-4-6-13/h2-9,11H,1H3,(H2,19,20,22).
What are the key properties of 1-(3-cyano-1-methylindol-6-yl)-3-phenylurea?
1-(3-cyano-1-methylindol-6-yl)-3-phenylurea has a molecular weight of 290.33 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyano-1-methylindol-6-yl)-3-phenylurea is sourced from PubChem (CID 510913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).