2-(2-methylprop-2-enylamino)pyridine-3-carbonitrile

C10H11N3 — CID 114617287

IUPAC2-(2-methylprop-2-enylamino)pyridine-3-carbonitrile
SMILESC=C(C)CNc1ncccc1C#N
InChIInChI=1S/C10H11N3/c1-8(2)7-13-10-9(6-11)4-3-5-12-10/h3-5H,1,7H2,2H3,(H,12,13)
InChIKeyJKBCKZZIGKIXFE-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.94
Rot. Bonds3

About 2-(2-methylprop-2-enylamino)pyridine-3-carbonitrile

2-(2-methylprop-2-enylamino)pyridine-3-carbonitrile (PubChem CID 114617287) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-(2-methylprop-2-enylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-methylprop-2-enylamino)pyridine-3-carbonitrile
PubChem CID114617287
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name2-(2-methylprop-2-enylamino)pyridine-3-carbonitrile
SMILESC=C(C)CNc1ncccc1C#N
InChIInChI=1S/C10H11N3/c1-8(2)7-13-10-9(6-11)4-3-5-12-10/h3-5H,1,7H2,2H3,(H,12,13)
InChIKeyJKBCKZZIGKIXFE-UHFFFAOYSA-N
XLogP1.94
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-(2-methylprop-2-enyl)pyridin-2-amine
CID 114617514
3-chloro-N-(2-methylprop-2-enyl)pyridin-2-amine
CID 114617517
2-[(2-amino-2-methylpropyl)amino]pyridine-3-carbonitrile
CID 78954580
2-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile
CID 24690844
2-[(2-hydroxyphenyl)methylamino]pyridine-3-carbonitrile
CID 113228777
2-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-3-carbonitrile
CID 79563043
2-[2-(methylamino)propylamino]pyridine-3-carbonitrile
CID 126976361
methyl 3-[(3-cyano-2-pyridinyl)amino]propanoate
CID 55028439
2-[(2-hydroxy-4,4-dimethylpentyl)amino]pyridine-3-carbonitrile
CID 103674836
2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile
CID 106328911
2-(3-methylsulfanylpropylamino)pyridine-3-carbonitrile
CID 63965471
N-(3-cyano-2-pyridinyl)-2-(methylamino)acetamide
CID 110470457

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enylamino)pyridine-3-carbonitrile?
The IUPAC name of 2-(2-methylprop-2-enylamino)pyridine-3-carbonitrile (CID 114617287) is 2-(2-methylprop-2-enylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-methylprop-2-enylamino)pyridine-3-carbonitrile?
The canonical SMILES for 2-(2-methylprop-2-enylamino)pyridine-3-carbonitrile is C=C(C)CNc1ncccc1C#N.
What is the InChIKey of 2-(2-methylprop-2-enylamino)pyridine-3-carbonitrile?
The InChIKey is JKBCKZZIGKIXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-8(2)7-13-10-9(6-11)4-3-5-12-10/h3-5H,1,7H2,2H3,(H,12,13).
What are the key properties of 2-(2-methylprop-2-enylamino)pyridine-3-carbonitrile?
2-(2-methylprop-2-enylamino)pyridine-3-carbonitrile has a molecular weight of 173.22 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 114617287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).