2,6-dimethyl-4-(3-methylbut-2-enylamino)pyridine-3-carbonitrile

C13H17N3 — CID 103525162

IUPAC2,6-dimethyl-4-(3-methylbut-2-enylamino)pyridine-3-carbonitrile
SMILESCC(C)=CCNc1cc(C)nc(C)c1C#N
InChIInChI=1S/C13H17N3/c1-9(2)5-6-15-13-7-10(3)16-11(4)12(13)8-14/h5,7H,6H2,1-4H3,(H,15,16)
InChIKeyIIXQBTWAUKQQSS-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.95
Rot. Bonds3

About 2,6-dimethyl-4-(3-methylbut-2-enylamino)pyridine-3-carbonitrile

2,6-dimethyl-4-(3-methylbut-2-enylamino)pyridine-3-carbonitrile (PubChem CID 103525162) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2,6-dimethyl-4-(3-methylbut-2-enylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-(3-methylbut-2-enylamino)pyridine-3-carbonitrile
PubChem CID103525162
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2,6-dimethyl-4-(3-methylbut-2-enylamino)pyridine-3-carbonitrile
SMILESCC(C)=CCNc1cc(C)nc(C)c1C#N
InChIInChI=1S/C13H17N3/c1-9(2)5-6-15-13-7-10(3)16-11(4)12(13)8-14/h5,7H,6H2,1-4H3,(H,15,16)
InChIKeyIIXQBTWAUKQQSS-UHFFFAOYSA-N
XLogP2.95
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(3-methylbut-2-enylamino)pyridine-3-carbonitrile?
The IUPAC name of 2,6-dimethyl-4-(3-methylbut-2-enylamino)pyridine-3-carbonitrile (CID 103525162) is 2,6-dimethyl-4-(3-methylbut-2-enylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-(3-methylbut-2-enylamino)pyridine-3-carbonitrile?
The canonical SMILES for 2,6-dimethyl-4-(3-methylbut-2-enylamino)pyridine-3-carbonitrile is CC(C)=CCNc1cc(C)nc(C)c1C#N.
What is the InChIKey of 2,6-dimethyl-4-(3-methylbut-2-enylamino)pyridine-3-carbonitrile?
The InChIKey is IIXQBTWAUKQQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-9(2)5-6-15-13-7-10(3)16-11(4)12(13)8-14/h5,7H,6H2,1-4H3,(H,15,16).
What are the key properties of 2,6-dimethyl-4-(3-methylbut-2-enylamino)pyridine-3-carbonitrile?
2,6-dimethyl-4-(3-methylbut-2-enylamino)pyridine-3-carbonitrile has a molecular weight of 215.30 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(3-methylbut-2-enylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 103525162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).