6-(4-chlorophenyl)-4-(dimethylamino)-2-oxopyran-3-carbonitrile

C14H11ClN2O2 — CID 10564293

IUPAC6-(4-chlorophenyl)-4-(dimethylamino)-2-oxopyran-3-carbonitrile
SMILESCN(C)c1cc(-c2ccc(Cl)cc2)oc(=O)c1C#N
InChIInChI=1S/C14H11ClN2O2/c1-17(2)12-7-13(19-14(18)11(12)8-16)9-3-5-10(15)6-4-9/h3-7H,1-2H3
InChIKeyUXEOUAAZILMQNM-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.90
Rot. Bonds2

About 6-(4-chlorophenyl)-4-(dimethylamino)-2-oxopyran-3-carbonitrile

6-(4-chlorophenyl)-4-(dimethylamino)-2-oxopyran-3-carbonitrile (PubChem CID 10564293) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-4-(dimethylamino)-2-oxopyran-3-carbonitrile.

Molecular Properties

Compound Name6-(4-chlorophenyl)-4-(dimethylamino)-2-oxopyran-3-carbonitrile
PubChem CID10564293
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Name6-(4-chlorophenyl)-4-(dimethylamino)-2-oxopyran-3-carbonitrile
SMILESCN(C)c1cc(-c2ccc(Cl)cc2)oc(=O)c1C#N
InChIInChI=1S/C14H11ClN2O2/c1-17(2)12-7-13(19-14(18)11(12)8-16)9-3-5-10(15)6-4-9/h3-7H,1-2H3
InChIKeyUXEOUAAZILMQNM-UHFFFAOYSA-N
XLogP2.90
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-4-(dimethylamino)-2-oxopyran-3-carbonitrile?
The IUPAC name of 6-(4-chlorophenyl)-4-(dimethylamino)-2-oxopyran-3-carbonitrile (CID 10564293) is 6-(4-chlorophenyl)-4-(dimethylamino)-2-oxopyran-3-carbonitrile.
What is the SMILES notation for 6-(4-chlorophenyl)-4-(dimethylamino)-2-oxopyran-3-carbonitrile?
The canonical SMILES for 6-(4-chlorophenyl)-4-(dimethylamino)-2-oxopyran-3-carbonitrile is CN(C)c1cc(-c2ccc(Cl)cc2)oc(=O)c1C#N.
What is the InChIKey of 6-(4-chlorophenyl)-4-(dimethylamino)-2-oxopyran-3-carbonitrile?
The InChIKey is UXEOUAAZILMQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c1-17(2)12-7-13(19-14(18)11(12)8-16)9-3-5-10(15)6-4-9/h3-7H,1-2H3.
What are the key properties of 6-(4-chlorophenyl)-4-(dimethylamino)-2-oxopyran-3-carbonitrile?
6-(4-chlorophenyl)-4-(dimethylamino)-2-oxopyran-3-carbonitrile has a molecular weight of 274.71 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-4-(dimethylamino)-2-oxopyran-3-carbonitrile is sourced from PubChem (CID 10564293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).