4-(diethylamino)-2-oxo-6-phenylpyran-3-carbonitrile

C16H16N2O2 — CID 164665656

IUPAC4-(diethylamino)-2-oxo-6-phenylpyran-3-carbonitrile
SMILESCCN(CC)c1cc(-c2ccccc2)oc(=O)c1C#N
InChIInChI=1S/C16H16N2O2/c1-3-18(4-2)14-10-15(12-8-6-5-7-9-12)20-16(19)13(14)11-17/h5-10H,3-4H2,1-2H3
InChIKeyRMSZSZWGUBOXFG-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.02
Rot. Bonds4

About 4-(diethylamino)-2-oxo-6-phenylpyran-3-carbonitrile

4-(diethylamino)-2-oxo-6-phenylpyran-3-carbonitrile (PubChem CID 164665656) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-(diethylamino)-2-oxo-6-phenylpyran-3-carbonitrile.

Molecular Properties

Compound Name4-(diethylamino)-2-oxo-6-phenylpyran-3-carbonitrile
PubChem CID164665656
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name4-(diethylamino)-2-oxo-6-phenylpyran-3-carbonitrile
SMILESCCN(CC)c1cc(-c2ccccc2)oc(=O)c1C#N
InChIInChI=1S/C16H16N2O2/c1-3-18(4-2)14-10-15(12-8-6-5-7-9-12)20-16(19)13(14)11-17/h5-10H,3-4H2,1-2H3
InChIKeyRMSZSZWGUBOXFG-UHFFFAOYSA-N
XLogP3.02
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-2-oxo-6-phenylpyran-3-carbonitrile?
The IUPAC name of 4-(diethylamino)-2-oxo-6-phenylpyran-3-carbonitrile (CID 164665656) is 4-(diethylamino)-2-oxo-6-phenylpyran-3-carbonitrile.
What is the SMILES notation for 4-(diethylamino)-2-oxo-6-phenylpyran-3-carbonitrile?
The canonical SMILES for 4-(diethylamino)-2-oxo-6-phenylpyran-3-carbonitrile is CCN(CC)c1cc(-c2ccccc2)oc(=O)c1C#N.
What is the InChIKey of 4-(diethylamino)-2-oxo-6-phenylpyran-3-carbonitrile?
The InChIKey is RMSZSZWGUBOXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-3-18(4-2)14-10-15(12-8-6-5-7-9-12)20-16(19)13(14)11-17/h5-10H,3-4H2,1-2H3.
What are the key properties of 4-(diethylamino)-2-oxo-6-phenylpyran-3-carbonitrile?
4-(diethylamino)-2-oxo-6-phenylpyran-3-carbonitrile has a molecular weight of 268.32 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-2-oxo-6-phenylpyran-3-carbonitrile is sourced from PubChem (CID 164665656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).