5-(2-methylprop-2-enylamino)pyridine-2-carbonitrile

C10H11N3 — CID 114617316

IUPAC5-(2-methylprop-2-enylamino)pyridine-2-carbonitrile
SMILESC=C(C)CNc1ccc(C#N)nc1
InChIInChI=1S/C10H11N3/c1-8(2)6-12-10-4-3-9(5-11)13-7-10/h3-4,7,12H,1,6H2,2H3
InChIKeyFKYZSOJQFINTJA-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.94
Rot. Bonds3

About 5-(2-methylprop-2-enylamino)pyridine-2-carbonitrile

5-(2-methylprop-2-enylamino)pyridine-2-carbonitrile (PubChem CID 114617316) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 5-(2-methylprop-2-enylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(2-methylprop-2-enylamino)pyridine-2-carbonitrile
PubChem CID114617316
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name5-(2-methylprop-2-enylamino)pyridine-2-carbonitrile
SMILESC=C(C)CNc1ccc(C#N)nc1
InChIInChI=1S/C10H11N3/c1-8(2)6-12-10-4-3-9(5-11)13-7-10/h3-4,7,12H,1,6H2,2H3
InChIKeyFKYZSOJQFINTJA-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

N-(6-cyano-3-pyridinyl)acetamide
CID 59578592
5-(2,2,3-trimethylbutylamino)pyridine-2-carbonitrile
CID 102609041
5-[(3-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile
CID 79839884
5-(2-methylbutan-2-ylamino)pyridine-2-carbonitrile
CID 115487385
5-[2-(ethylamino)ethylamino]pyridine-2-carbonitrile
CID 115490362
5-(3-methylpentan-3-ylamino)pyridine-2-carbonitrile
CID 106328906
5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-2-carbonitrile
CID 113320652
5-[(1-methylcyclopropyl)methylamino]pyridine-2-carbonitrile
CID 103736721
5-[(2-hydroxy-4-methylpentyl)amino]pyridine-2-carbonitrile
CID 103736448
5-(2-ethylsulfinylethylamino)pyridine-2-carbonitrile
CID 115680961
5-(butan-2-ylamino)pyridine-2-carbonitrile
CID 79839653
5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carbonitrile
CID 79839810

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylprop-2-enylamino)pyridine-2-carbonitrile?
The IUPAC name of 5-(2-methylprop-2-enylamino)pyridine-2-carbonitrile (CID 114617316) is 5-(2-methylprop-2-enylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(2-methylprop-2-enylamino)pyridine-2-carbonitrile?
The canonical SMILES for 5-(2-methylprop-2-enylamino)pyridine-2-carbonitrile is C=C(C)CNc1ccc(C#N)nc1.
What is the InChIKey of 5-(2-methylprop-2-enylamino)pyridine-2-carbonitrile?
The InChIKey is FKYZSOJQFINTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-8(2)6-12-10-4-3-9(5-11)13-7-10/h3-4,7,12H,1,6H2,2H3.
What are the key properties of 5-(2-methylprop-2-enylamino)pyridine-2-carbonitrile?
5-(2-methylprop-2-enylamino)pyridine-2-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 5-(2-methylprop-2-enylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 114617316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).