6-ethyl-1-methylpyrrolo[3,2-b]pyridine-3-carbonitrile;propane

C14H19N3 — CID 176702943

IUPAC6-ethyl-1-methylpyrrolo[3,2-b]pyridine-3-carbonitrile;propane
SMILESCCC.CCc1cnc2c(C#N)cn(C)c2c1
InChIInChI=1S/C11H11N3.C3H8/c1-3-8-4-10-11(13-6-8)9(5-12)7-14(10)2;1-3-2/h4,6-7H,3H2,1-2H3;3H2,1-2H3
InChIKeyHSWBPGNQLZJXTL-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.42
Rot. Bonds1

About 6-ethyl-1-methylpyrrolo[3,2-b]pyridine-3-carbonitrile;propane

6-ethyl-1-methylpyrrolo[3,2-b]pyridine-3-carbonitrile;propane (PubChem CID 176702943) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 6-ethyl-1-methylpyrrolo[3,2-b]pyridine-3-carbonitrile;propane.

Molecular Properties

Compound Name6-ethyl-1-methylpyrrolo[3,2-b]pyridine-3-carbonitrile;propane
PubChem CID176702943
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name6-ethyl-1-methylpyrrolo[3,2-b]pyridine-3-carbonitrile;propane
SMILESCCC.CCc1cnc2c(C#N)cn(C)c2c1
InChIInChI=1S/C11H11N3.C3H8/c1-3-8-4-10-11(13-6-8)9(5-12)7-14(10)2;1-3-2/h4,6-7H,3H2,1-2H3;3H2,1-2H3
InChIKeyHSWBPGNQLZJXTL-UHFFFAOYSA-N
XLogP3.42
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-ethyl-1-methylpyrrolo[3,2-b]pyridine-3-carbonitrile;propane with MolForge

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

Launch Full Analysis

Related Compounds

2-chloro-5-ethylpyridine-3-carbonitrile
CID 14569539
6-ethylimidazo[1,5-a]pyridine-8-carbonitrile
CID 130066313
2-(5-ethylpyrimidin-2-yl)benzonitrile
CID 141346373
4-methoxy-1-methylpyrrolo[3,2-c]pyridine-3-carbonitrile
CID 133058980
7-ethyl-1-methoxyisoquinoline-4-carbonitrile
CID 84679115
2-[(5-ethylpyrimidin-2-yl)amino]acetonitrile
CID 116975578
3-ethyl-1-methylpyrrolo[3,2-b]pyridine-5-carbonitrile
CID 170062221
5-ethyl-3-piperazin-1-ylpyridine-2-carbonitrile
CID 167443488
1-cyclopentyl-6-methylpyrrolo[3,2-b]pyridine-3-carbonitrile
CID 66734531
5-ethyl-3-fluoro-1-methylindole;propane
CID 176701533
3,5-diethyl-1-methylpyrazolo[3,4-b]pyridine
CID 59824839
6-amino-1-methylindole-3-carbonitrile
CID 59335124

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-methylpyrrolo[3,2-b]pyridine-3-carbonitrile;propane?
The IUPAC name of 6-ethyl-1-methylpyrrolo[3,2-b]pyridine-3-carbonitrile;propane (CID 176702943) is 6-ethyl-1-methylpyrrolo[3,2-b]pyridine-3-carbonitrile;propane.
What is the SMILES notation for 6-ethyl-1-methylpyrrolo[3,2-b]pyridine-3-carbonitrile;propane?
The canonical SMILES for 6-ethyl-1-methylpyrrolo[3,2-b]pyridine-3-carbonitrile;propane is CCC.CCc1cnc2c(C#N)cn(C)c2c1.
What is the InChIKey of 6-ethyl-1-methylpyrrolo[3,2-b]pyridine-3-carbonitrile;propane?
The InChIKey is HSWBPGNQLZJXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3.C3H8/c1-3-8-4-10-11(13-6-8)9(5-12)7-14(10)2;1-3-2/h4,6-7H,3H2,1-2H3;3H2,1-2H3.
What are the key properties of 6-ethyl-1-methylpyrrolo[3,2-b]pyridine-3-carbonitrile;propane?
6-ethyl-1-methylpyrrolo[3,2-b]pyridine-3-carbonitrile;propane has a molecular weight of 229.33 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-methylpyrrolo[3,2-b]pyridine-3-carbonitrile;propane is sourced from PubChem (CID 176702943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).