1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carbonitrile

C14H15N3O — CID 91672340

IUPAC1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carbonitrile
SMILESCOCCn1c(-c2cccnc2)cc(C#N)c1C
InChIInChI=1S/C14H15N3O/c1-11-13(9-15)8-14(17(11)6-7-18-2)12-4-3-5-16-10-12/h3-5,8,10H,6-7H2,1-2H3
InChIKeyVKVXOEQQWYRPLC-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.38
Rot. Bonds4

About 1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carbonitrile

1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carbonitrile (PubChem CID 91672340) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carbonitrile.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carbonitrile
PubChem CID91672340
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carbonitrile
SMILESCOCCn1c(-c2cccnc2)cc(C#N)c1C
InChIInChI=1S/C14H15N3O/c1-11-13(9-15)8-14(17(11)6-7-18-2)12-4-3-5-16-10-12/h3-5,8,10H,6-7H2,1-2H3
InChIKeyVKVXOEQQWYRPLC-UHFFFAOYSA-N
XLogP2.38
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-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 1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carbonitrile?
The IUPAC name of 1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carbonitrile (CID 91672340) is 1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carbonitrile.
What is the SMILES notation for 1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carbonitrile?
The canonical SMILES for 1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carbonitrile is COCCn1c(-c2cccnc2)cc(C#N)c1C.
What is the InChIKey of 1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carbonitrile?
The InChIKey is VKVXOEQQWYRPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-11-13(9-15)8-14(17(11)6-7-18-2)12-4-3-5-16-10-12/h3-5,8,10H,6-7H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carbonitrile?
1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carbonitrile has a molecular weight of 241.29 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carbonitrile is sourced from PubChem (CID 91672340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).