6-cyclopropyl-2-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carbonitrile

C13H15N3 — CID 172915853

IUPAC6-cyclopropyl-2-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carbonitrile
SMILESCN(C)/C=C/c1nc(C2CC2)ccc1C#N
InChIInChI=1S/C13H15N3/c1-16(2)8-7-13-11(9-14)5-6-12(15-13)10-3-4-10/h5-8,10H,3-4H2,1-2H3/b8-7+
InChIKeyQCIDPDAWJZJXBR-BQYQJAHWSA-N
MW213.28 g/mol
LogP2.36
Rot. Bonds3

About 6-cyclopropyl-2-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carbonitrile

6-cyclopropyl-2-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carbonitrile (PubChem CID 172915853) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 6-cyclopropyl-2-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-cyclopropyl-2-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carbonitrile
PubChem CID172915853
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name6-cyclopropyl-2-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carbonitrile
SMILESCN(C)/C=C/c1nc(C2CC2)ccc1C#N
InChIInChI=1S/C13H15N3/c1-16(2)8-7-13-11(9-14)5-6-12(15-13)10-3-4-10/h5-8,10H,3-4H2,1-2H3/b8-7+
InChIKeyQCIDPDAWJZJXBR-BQYQJAHWSA-N
XLogP2.36
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carbonitrile?
The IUPAC name of 6-cyclopropyl-2-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carbonitrile (CID 172915853) is 6-cyclopropyl-2-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-cyclopropyl-2-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-cyclopropyl-2-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carbonitrile is CN(C)/C=C/c1nc(C2CC2)ccc1C#N.
What is the InChIKey of 6-cyclopropyl-2-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carbonitrile?
The InChIKey is QCIDPDAWJZJXBR-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H15N3/c1-16(2)8-7-13-11(9-14)5-6-12(15-13)10-3-4-10/h5-8,10H,3-4H2,1-2H3/b8-7+.
What are the key properties of 6-cyclopropyl-2-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carbonitrile?
6-cyclopropyl-2-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carbonitrile has a molecular weight of 213.28 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 172915853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).