3-ethyl-1-methylpyrrolo[3,2-b]pyridine-5-carbonitrile

C11H11N3 — CID 170062221

IUPAC3-ethyl-1-methylpyrrolo[3,2-b]pyridine-5-carbonitrile
SMILESCCc1cn(C)c2ccc(C#N)nc12
InChIInChI=1S/C11H11N3/c1-3-8-7-14(2)10-5-4-9(6-12)13-11(8)10/h4-5,7H,3H2,1-2H3
InChIKeyJVWVMTBWLYTPLB-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.01
Rot. Bonds1

About 3-ethyl-1-methylpyrrolo[3,2-b]pyridine-5-carbonitrile

3-ethyl-1-methylpyrrolo[3,2-b]pyridine-5-carbonitrile (PubChem CID 170062221) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 3-ethyl-1-methylpyrrolo[3,2-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3-ethyl-1-methylpyrrolo[3,2-b]pyridine-5-carbonitrile
PubChem CID170062221
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name3-ethyl-1-methylpyrrolo[3,2-b]pyridine-5-carbonitrile
SMILESCCc1cn(C)c2ccc(C#N)nc12
InChIInChI=1S/C11H11N3/c1-3-8-7-14(2)10-5-4-9(6-12)13-11(8)10/h4-5,7H,3H2,1-2H3
InChIKeyJVWVMTBWLYTPLB-UHFFFAOYSA-N
XLogP2.01
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-1-methylpyrrolo[3,2-b]pyridine-5-carbonitrile 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

3-ethyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
CID 123600772
methyl 2-(5-ethyl-1-methylpyrrolo[3,2-b]pyridin-3-yl)acetate
CID 170042823
4-(3-ethoxypiperidin-1-yl)-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile
CID 156556200
8-[[(2S)-1-aminopropan-2-yl]-(3-hydroxypropyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 146641182
5-methyl-6-oxo-8-(trifluoromethylsulfanyloxy)-1,5-naphthyridine-2-carbonitrile
CID 156802061
6-ethyl-1-methylpyrrolo[3,2-b]pyridine-3-carbonitrile;propane
CID 176702943
8-[(2R,4S,5R)-5-ethyl-4-hydroxy-2-methylpiperidin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 156527031
1-methylindazole-5-carbonitrile
CID 10583041
8-[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
CID 151612324
3-[5-cyano-2-oxo-1-[(1,4,6-trimethylindol-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]-3-phenylpropanoic acid
CID 66992716
5-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile
CID 104677263
4-[(2R,5S)-2,5-dimethylpiperidin-1-yl]-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile
CID 156527421

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methylpyrrolo[3,2-b]pyridine-5-carbonitrile?
The IUPAC name of 3-ethyl-1-methylpyrrolo[3,2-b]pyridine-5-carbonitrile (CID 170062221) is 3-ethyl-1-methylpyrrolo[3,2-b]pyridine-5-carbonitrile.
What is the SMILES notation for 3-ethyl-1-methylpyrrolo[3,2-b]pyridine-5-carbonitrile?
The canonical SMILES for 3-ethyl-1-methylpyrrolo[3,2-b]pyridine-5-carbonitrile is CCc1cn(C)c2ccc(C#N)nc12.
What is the InChIKey of 3-ethyl-1-methylpyrrolo[3,2-b]pyridine-5-carbonitrile?
The InChIKey is JVWVMTBWLYTPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-3-8-7-14(2)10-5-4-9(6-12)13-11(8)10/h4-5,7H,3H2,1-2H3.
What are the key properties of 3-ethyl-1-methylpyrrolo[3,2-b]pyridine-5-carbonitrile?
3-ethyl-1-methylpyrrolo[3,2-b]pyridine-5-carbonitrile has a molecular weight of 185.23 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methylpyrrolo[3,2-b]pyridine-5-carbonitrile is sourced from PubChem (CID 170062221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).