4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]benzonitrile

C18H15N3 — CID 11492792

IUPAC4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]benzonitrile
SMILESN#Cc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1
InChIInChI=1S/C18H15N3/c19-12-15-7-5-14(6-8-15)11-16-3-2-10-21-18(16)17-4-1-9-20-13-17/h1,4-9,11,13H,2-3,10H2/b16-11+
InChIKeyIMFMKQFYAXTXCA-LFIBNONCSA-N
MW273.34 g/mol
LogP3.62
Rot. Bonds2

About 4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]benzonitrile

4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]benzonitrile (PubChem CID 11492792) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]benzonitrile
PubChem CID11492792
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]benzonitrile
SMILESN#Cc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1
InChIInChI=1S/C18H15N3/c19-12-15-7-5-14(6-8-15)11-16-3-2-10-21-18(16)17-4-1-9-20-13-17/h1,4-9,11,13H,2-3,10H2/b16-11+
InChIKeyIMFMKQFYAXTXCA-LFIBNONCSA-N
XLogP3.62
TPSA49.04 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]benzonitrile?
The IUPAC name of 4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]benzonitrile (CID 11492792) is 4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]benzonitrile.
What is the SMILES notation for 4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]benzonitrile?
The canonical SMILES for 4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]benzonitrile is N#Cc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1.
What is the InChIKey of 4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]benzonitrile?
The InChIKey is IMFMKQFYAXTXCA-LFIBNONCSA-N. The full InChI is InChI=1S/C18H15N3/c19-12-15-7-5-14(6-8-15)11-16-3-2-10-21-18(16)17-4-1-9-20-13-17/h1,4-9,11,13H,2-3,10H2/b16-11+.
What are the key properties of 4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]benzonitrile?
4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]benzonitrile has a molecular weight of 273.34 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]benzonitrile is sourced from PubChem (CID 11492792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).