3-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-4-carbonitrile

C12H15N3O — CID 115883851

IUPAC3-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-4-carbonitrile
SMILESC=C(C)COCCNc1cnccc1C#N
InChIInChI=1S/C12H15N3O/c1-10(2)9-16-6-5-15-12-8-14-4-3-11(12)7-13/h3-4,8,15H,1,5-6,9H2,2H3
InChIKeyKZMNSBBUTVQSKR-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.96
Rot. Bonds6

About 3-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-4-carbonitrile

3-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-4-carbonitrile (PubChem CID 115883851) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-4-carbonitrile
PubChem CID115883851
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-4-carbonitrile
SMILESC=C(C)COCCNc1cnccc1C#N
InChIInChI=1S/C12H15N3O/c1-10(2)9-16-6-5-15-12-8-14-4-3-11(12)7-13/h3-4,8,15H,1,5-6,9H2,2H3
InChIKeyKZMNSBBUTVQSKR-UHFFFAOYSA-N
XLogP1.96
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile
CID 103888654
4-chloro-2-[2-(2-methylprop-2-enoxy)ethylamino]benzonitrile
CID 113258178
3-(3-propoxypropylamino)pyridine-4-carbonitrile
CID 82942075
3-[3-(2-methoxyethoxy)propylamino]pyridine-4-carbonitrile
CID 113337626
3-[2-(2-methoxyethylamino)ethylamino]pyridine-4-carbonitrile
CID 83030587
3-(4-propan-2-yloxybutylamino)pyridine-4-carbonitrile
CID 113381771
2-[2-(2-methylprop-2-enoxy)ethylamino]-5-(trifluoromethyl)benzonitrile
CID 115698517
2-[(4-cyano-3-pyridinyl)amino]ethylurea
CID 83092415
2-amino-5-[2-(2-methylprop-2-enoxy)ethylamino]benzonitrile
CID 114465249
3-[(3-hydroxy-2,2-dimethylpropyl)amino]pyridine-4-carbonitrile
CID 115360433
3-[(2-ethoxy-2-methylpropyl)amino]pyridine-4-carbonitrile
CID 114942452
2-chloro-6-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-4-carbonitrile
CID 106196869

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-4-carbonitrile?
The IUPAC name of 3-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-4-carbonitrile (CID 115883851) is 3-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-4-carbonitrile?
The canonical SMILES for 3-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-4-carbonitrile is C=C(C)COCCNc1cnccc1C#N.
What is the InChIKey of 3-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-4-carbonitrile?
The InChIKey is KZMNSBBUTVQSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-10(2)9-16-6-5-15-12-8-14-4-3-11(12)7-13/h3-4,8,15H,1,5-6,9H2,2H3.
What are the key properties of 3-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-4-carbonitrile?
3-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-4-carbonitrile has a molecular weight of 217.27 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 115883851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).