5-ethyl-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonitrile

C16H15N3 — CID 143656866

IUPAC5-ethyl-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonitrile
SMILESCCc1cc(C#N)c(C)c2[nH]c3ncc(C)cc3c12
InChIInChI=1S/C16H15N3/c1-4-11-6-12(7-17)10(3)15-14(11)13-5-9(2)8-18-16(13)19-15/h5-6,8H,4H2,1-3H3,(H,18,19)
InChIKeyHMCUKHOAHNDZDX-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.77
Rot. Bonds1

About 5-ethyl-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonitrile

5-ethyl-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonitrile (PubChem CID 143656866) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 5-ethyl-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonitrile.

Molecular Properties

Compound Name5-ethyl-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonitrile
PubChem CID143656866
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name5-ethyl-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonitrile
SMILESCCc1cc(C#N)c(C)c2[nH]c3ncc(C)cc3c12
InChIInChI=1S/C16H15N3/c1-4-11-6-12(7-17)10(3)15-14(11)13-5-9(2)8-18-16(13)19-15/h5-6,8H,4H2,1-3H3,(H,18,19)
InChIKeyHMCUKHOAHNDZDX-UHFFFAOYSA-N
XLogP3.77
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-ethyl-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-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 5-ethyl-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonitrile?
The IUPAC name of 5-ethyl-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonitrile (CID 143656866) is 5-ethyl-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonitrile.
What is the SMILES notation for 5-ethyl-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonitrile?
The canonical SMILES for 5-ethyl-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonitrile is CCc1cc(C#N)c(C)c2[nH]c3ncc(C)cc3c12.
What is the InChIKey of 5-ethyl-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonitrile?
The InChIKey is HMCUKHOAHNDZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-4-11-6-12(7-17)10(3)15-14(11)13-5-9(2)8-18-16(13)19-15/h5-6,8H,4H2,1-3H3,(H,18,19).
What are the key properties of 5-ethyl-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonitrile?
5-ethyl-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonitrile has a molecular weight of 249.32 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonitrile is sourced from PubChem (CID 143656866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).