N-(4-cyanophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide

C15H12N2O3 — CID 110699384

IUPACN-(4-cyanophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C15H12N2O3/c1-9-7-13(18)20-10(2)14(9)15(19)17-12-5-3-11(8-16)4-6-12/h3-7H,1-2H3,(H,17,19)
InChIKeyGYVMDFQIZDOSJO-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.38
Rot. Bonds2

About N-(4-cyanophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide

N-(4-cyanophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide (PubChem CID 110699384) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide
PubChem CID110699384
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC NameN-(4-cyanophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C15H12N2O3/c1-9-7-13(18)20-10(2)14(9)15(19)17-12-5-3-11(8-16)4-6-12/h3-7H,1-2H3,(H,17,19)
InChIKeyGYVMDFQIZDOSJO-UHFFFAOYSA-N
XLogP2.38
TPSA83.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide (CID 110699384) is N-(4-cyanophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide is Cc1cc(=O)oc(C)c1C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide?
The InChIKey is GYVMDFQIZDOSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-9-7-13(18)20-10(2)14(9)15(19)17-12-5-3-11(8-16)4-6-12/h3-7H,1-2H3,(H,17,19).
What are the key properties of N-(4-cyanophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide?
N-(4-cyanophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide has a molecular weight of 268.27 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide is sourced from PubChem (CID 110699384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).