6-[bis(prop-2-enyl)amino]pyridine-2-carbonitrile

C12H13N3 — CID 64593518

IUPAC6-[bis(prop-2-enyl)amino]pyridine-2-carbonitrile
SMILESC=CCN(CC=C)c1cccc(C#N)n1
InChIInChI=1S/C12H13N3/c1-3-8-15(9-4-2)12-7-5-6-11(10-13)14-12/h3-7H,1-2,8-9H2
InChIKeyJEQJGVFQZVJNBK-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.13
Rot. Bonds5

About 6-[bis(prop-2-enyl)amino]pyridine-2-carbonitrile

6-[bis(prop-2-enyl)amino]pyridine-2-carbonitrile (PubChem CID 64593518) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 6-[bis(prop-2-enyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[bis(prop-2-enyl)amino]pyridine-2-carbonitrile
PubChem CID64593518
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name6-[bis(prop-2-enyl)amino]pyridine-2-carbonitrile
SMILESC=CCN(CC=C)c1cccc(C#N)n1
InChIInChI=1S/C12H13N3/c1-3-8-15(9-4-2)12-7-5-6-11(10-13)14-12/h3-7H,1-2,8-9H2
InChIKeyJEQJGVFQZVJNBK-UHFFFAOYSA-N
XLogP2.13
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
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 6-[bis(prop-2-enyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[bis(prop-2-enyl)amino]pyridine-2-carbonitrile (CID 64593518) is 6-[bis(prop-2-enyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[bis(prop-2-enyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[bis(prop-2-enyl)amino]pyridine-2-carbonitrile is C=CCN(CC=C)c1cccc(C#N)n1.
What is the InChIKey of 6-[bis(prop-2-enyl)amino]pyridine-2-carbonitrile?
The InChIKey is JEQJGVFQZVJNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-3-8-15(9-4-2)12-7-5-6-11(10-13)14-12/h3-7H,1-2,8-9H2.
What are the key properties of 6-[bis(prop-2-enyl)amino]pyridine-2-carbonitrile?
6-[bis(prop-2-enyl)amino]pyridine-2-carbonitrile has a molecular weight of 199.26 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(prop-2-enyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 64593518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).