5-methylidene-2,6-dioxo-1,4-diphenylpyridine-3-carbonitrile

C19H12N2O2 — CID 23558243

IUPAC5-methylidene-2,6-dioxo-1,4-diphenylpyridine-3-carbonitrile
SMILESC=C1C(=O)N(c2ccccc2)C(=O)C(C#N)=C1c1ccccc1
InChIInChI=1S/C19H12N2O2/c1-13-17(14-8-4-2-5-9-14)16(12-20)19(23)21(18(13)22)15-10-6-3-7-11-15/h2-11H,1H2
InChIKeyNNYDNDGNWQGDOG-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.09
Rot. Bonds2

About 5-methylidene-2,6-dioxo-1,4-diphenylpyridine-3-carbonitrile

5-methylidene-2,6-dioxo-1,4-diphenylpyridine-3-carbonitrile (PubChem CID 23558243) has the molecular formula C19H12N2O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 5-methylidene-2,6-dioxo-1,4-diphenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-methylidene-2,6-dioxo-1,4-diphenylpyridine-3-carbonitrile
PubChem CID23558243
Molecular FormulaC19H12N2O2
Molecular Weight300.32 g/mol
Exact Mass300.09
IUPAC Name5-methylidene-2,6-dioxo-1,4-diphenylpyridine-3-carbonitrile
SMILESC=C1C(=O)N(c2ccccc2)C(=O)C(C#N)=C1c1ccccc1
InChIInChI=1S/C19H12N2O2/c1-13-17(14-8-4-2-5-9-14)16(12-20)19(23)21(18(13)22)15-10-6-3-7-11-15/h2-11H,1H2
InChIKeyNNYDNDGNWQGDOG-UHFFFAOYSA-N
XLogP3.09
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-2,6-dioxo-1,4-diphenylpyridine-3-carbonitrile?
The IUPAC name of 5-methylidene-2,6-dioxo-1,4-diphenylpyridine-3-carbonitrile (CID 23558243) is 5-methylidene-2,6-dioxo-1,4-diphenylpyridine-3-carbonitrile.
What is the SMILES notation for 5-methylidene-2,6-dioxo-1,4-diphenylpyridine-3-carbonitrile?
The canonical SMILES for 5-methylidene-2,6-dioxo-1,4-diphenylpyridine-3-carbonitrile is C=C1C(=O)N(c2ccccc2)C(=O)C(C#N)=C1c1ccccc1.
What is the InChIKey of 5-methylidene-2,6-dioxo-1,4-diphenylpyridine-3-carbonitrile?
The InChIKey is NNYDNDGNWQGDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O2/c1-13-17(14-8-4-2-5-9-14)16(12-20)19(23)21(18(13)22)15-10-6-3-7-11-15/h2-11H,1H2.
What are the key properties of 5-methylidene-2,6-dioxo-1,4-diphenylpyridine-3-carbonitrile?
5-methylidene-2,6-dioxo-1,4-diphenylpyridine-3-carbonitrile has a molecular weight of 300.32 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-2,6-dioxo-1,4-diphenylpyridine-3-carbonitrile is sourced from PubChem (CID 23558243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).