4H-pyrido[3,2-a]carbazole-6-carbonitrile

C16H9N3 — CID 135590713

IUPAC4H-pyrido[3,2-a]carbazole-6-carbonitrile
SMILESN#Cc1cc2[nH]cccc2c2nc3ccccc3c12
InChIInChI=1S/C16H9N3/c17-9-10-8-14-12(5-3-7-18-14)16-15(10)11-4-1-2-6-13(11)19-16/h1-8,18H
InChIKeyDEDYJIMLLHVLIV-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.74
Rot. Bonds

About 4H-pyrido[3,2-a]carbazole-6-carbonitrile

4H-pyrido[3,2-a]carbazole-6-carbonitrile (PubChem CID 135590713) has the molecular formula C16H9N3 and a molecular weight of 243.27 g/mol. Its IUPAC name is 4H-pyrido[3,2-a]carbazole-6-carbonitrile.

Molecular Properties

Compound Name4H-pyrido[3,2-a]carbazole-6-carbonitrile
PubChem CID135590713
Molecular FormulaC16H9N3
Molecular Weight243.27 g/mol
Exact Mass243.08
IUPAC Name4H-pyrido[3,2-a]carbazole-6-carbonitrile
SMILESN#Cc1cc2[nH]cccc2c2nc3ccccc3c12
InChIInChI=1S/C16H9N3/c17-9-10-8-14-12(5-3-7-18-14)16-15(10)11-4-1-2-6-13(11)19-16/h1-8,18H
InChIKeyDEDYJIMLLHVLIV-UHFFFAOYSA-N
XLogP3.74
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4H-pyrido[3,2-a]carbazole-6-carbonitrile 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 4H-pyrido[3,2-a]carbazole-6-carbonitrile?
The IUPAC name of 4H-pyrido[3,2-a]carbazole-6-carbonitrile (CID 135590713) is 4H-pyrido[3,2-a]carbazole-6-carbonitrile.
What is the SMILES notation for 4H-pyrido[3,2-a]carbazole-6-carbonitrile?
The canonical SMILES for 4H-pyrido[3,2-a]carbazole-6-carbonitrile is N#Cc1cc2[nH]cccc2c2nc3ccccc3c12.
What is the InChIKey of 4H-pyrido[3,2-a]carbazole-6-carbonitrile?
The InChIKey is DEDYJIMLLHVLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9N3/c17-9-10-8-14-12(5-3-7-18-14)16-15(10)11-4-1-2-6-13(11)19-16/h1-8,18H.
What are the key properties of 4H-pyrido[3,2-a]carbazole-6-carbonitrile?
4H-pyrido[3,2-a]carbazole-6-carbonitrile has a molecular weight of 243.27 g/mol, XLogP of 3.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-pyrido[3,2-a]carbazole-6-carbonitrile is sourced from PubChem (CID 135590713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).