4-methyl-2-propan-2-ylpyridine-3,5-dicarbonitrile

C11H11N3 — CID 821166

IUPAC4-methyl-2-propan-2-ylpyridine-3,5-dicarbonitrile
SMILESCc1c(C#N)cnc(C(C)C)c1C#N
InChIInChI=1S/C11H11N3/c1-7(2)11-10(5-13)8(3)9(4-12)6-14-11/h6-7H,1-3H3
InChIKeyPFUFHISMWVLMMN-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.26
Rot. Bonds1

About 4-methyl-2-propan-2-ylpyridine-3,5-dicarbonitrile

4-methyl-2-propan-2-ylpyridine-3,5-dicarbonitrile (PubChem CID 821166) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 4-methyl-2-propan-2-ylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name4-methyl-2-propan-2-ylpyridine-3,5-dicarbonitrile
PubChem CID821166
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name4-methyl-2-propan-2-ylpyridine-3,5-dicarbonitrile
SMILESCc1c(C#N)cnc(C(C)C)c1C#N
InChIInChI=1S/C11H11N3/c1-7(2)11-10(5-13)8(3)9(4-12)6-14-11/h6-7H,1-3H3
InChIKeyPFUFHISMWVLMMN-UHFFFAOYSA-N
XLogP2.26
TPSA60.47 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 ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-propan-2-ylpyridine-3,5-dicarbonitrile 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 4-methyl-2-propan-2-ylpyridine-3,5-dicarbonitrile?
The IUPAC name of 4-methyl-2-propan-2-ylpyridine-3,5-dicarbonitrile (CID 821166) is 4-methyl-2-propan-2-ylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 4-methyl-2-propan-2-ylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 4-methyl-2-propan-2-ylpyridine-3,5-dicarbonitrile is Cc1c(C#N)cnc(C(C)C)c1C#N.
What is the InChIKey of 4-methyl-2-propan-2-ylpyridine-3,5-dicarbonitrile?
The InChIKey is PFUFHISMWVLMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-7(2)11-10(5-13)8(3)9(4-12)6-14-11/h6-7H,1-3H3.
What are the key properties of 4-methyl-2-propan-2-ylpyridine-3,5-dicarbonitrile?
4-methyl-2-propan-2-ylpyridine-3,5-dicarbonitrile has a molecular weight of 185.23 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-ylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 821166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).