2-[ethyl(prop-2-enyl)amino]pyridine-3-carbonitrile

C11H13N3 — CID 78958811

IUPAC2-[ethyl(prop-2-enyl)amino]pyridine-3-carbonitrile
SMILESC=CCN(CC)c1ncccc1C#N
InChIInChI=1S/C11H13N3/c1-3-8-14(4-2)11-10(9-12)6-5-7-13-11/h3,5-7H,1,4,8H2,2H3
InChIKeyXUSPOXWCMJXTRP-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.97
Rot. Bonds4

About 2-[ethyl(prop-2-enyl)amino]pyridine-3-carbonitrile

2-[ethyl(prop-2-enyl)amino]pyridine-3-carbonitrile (PubChem CID 78958811) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 2-[ethyl(prop-2-enyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[ethyl(prop-2-enyl)amino]pyridine-3-carbonitrile
PubChem CID78958811
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name2-[ethyl(prop-2-enyl)amino]pyridine-3-carbonitrile
SMILESC=CCN(CC)c1ncccc1C#N
InChIInChI=1S/C11H13N3/c1-3-8-14(4-2)11-10(9-12)6-5-7-13-11/h3,5-7H,1,4,8H2,2H3
InChIKeyXUSPOXWCMJXTRP-UHFFFAOYSA-N
XLogP1.97
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(diethylamino)pyridine-3-carbonitrile
CID 10012430
2-[2-aminoethyl(ethyl)amino]pyridine-3-carbonitrile
CID 114900544
2-[ethyl(piperidin-4-ylmethyl)amino]pyridine-3-carbonitrile
CID 79719604
2-(N-ethylanilino)pyridine-3-carbonitrile
CID 24708158
4-[ethyl(prop-2-enyl)amino]benzonitrile
CID 78958833
2-[(5-bromo-2-hydroxyphenyl)methyl-ethylamino]pyridine-3-carbonitrile
CID 133381071
2-[(3-amino-2,2-dimethylpropyl)-propylamino]pyridine-3-carbonitrile
CID 79662269
2-(N-butylanilino)pyridine-3-carbonitrile
CID 64586169
2-[cyclopropyl(propyl)amino]pyridine-3-carbonitrile
CID 43270562
4-(aminomethyl)-N-ethyl-3-fluoro-N-prop-2-enylpyridin-2-amine
CID 105390237
2-(4-hydroxy-N-methylanilino)pyridine-3-carbonitrile
CID 107735136
2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyridine-3-carbonitrile
CID 61232349

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(prop-2-enyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[ethyl(prop-2-enyl)amino]pyridine-3-carbonitrile (CID 78958811) is 2-[ethyl(prop-2-enyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[ethyl(prop-2-enyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[ethyl(prop-2-enyl)amino]pyridine-3-carbonitrile is C=CCN(CC)c1ncccc1C#N.
What is the InChIKey of 2-[ethyl(prop-2-enyl)amino]pyridine-3-carbonitrile?
The InChIKey is XUSPOXWCMJXTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-3-8-14(4-2)11-10(9-12)6-5-7-13-11/h3,5-7H,1,4,8H2,2H3.
What are the key properties of 2-[ethyl(prop-2-enyl)amino]pyridine-3-carbonitrile?
2-[ethyl(prop-2-enyl)amino]pyridine-3-carbonitrile has a molecular weight of 187.25 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(prop-2-enyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 78958811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).