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

C15H15NO3 — CID 917461

IUPAC2,4-dimethyl-N-(2-methylphenyl)-6-oxopyran-3-carboxamide
SMILESCc1ccccc1NC(=O)c1c(C)cc(=O)oc1C
InChIInChI=1S/C15H15NO3/c1-9-6-4-5-7-12(9)16-15(18)14-10(2)8-13(17)19-11(14)3/h4-8H,1-3H3,(H,16,18)
InChIKeyYCHQTGKFALIMFZ-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.82
Rot. Bonds2

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

2,4-dimethyl-N-(2-methylphenyl)-6-oxopyran-3-carboxamide (PubChem CID 917461) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2,4-dimethyl-N-(2-methylphenyl)-6-oxopyran-3-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(2-methylphenyl)-6-oxopyran-3-carboxamide
PubChem CID917461
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2,4-dimethyl-N-(2-methylphenyl)-6-oxopyran-3-carboxamide
SMILESCc1ccccc1NC(=O)c1c(C)cc(=O)oc1C
InChIInChI=1S/C15H15NO3/c1-9-6-4-5-7-12(9)16-15(18)14-10(2)8-13(17)19-11(14)3/h4-8H,1-3H3,(H,16,18)
InChIKeyYCHQTGKFALIMFZ-UHFFFAOYSA-N
XLogP2.82
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(2-methylphenyl)-6-oxopyran-3-carboxamide?
The IUPAC name of 2,4-dimethyl-N-(2-methylphenyl)-6-oxopyran-3-carboxamide (CID 917461) is 2,4-dimethyl-N-(2-methylphenyl)-6-oxopyran-3-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(2-methylphenyl)-6-oxopyran-3-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(2-methylphenyl)-6-oxopyran-3-carboxamide is Cc1ccccc1NC(=O)c1c(C)cc(=O)oc1C.
What is the InChIKey of 2,4-dimethyl-N-(2-methylphenyl)-6-oxopyran-3-carboxamide?
The InChIKey is YCHQTGKFALIMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-9-6-4-5-7-12(9)16-15(18)14-10(2)8-13(17)19-11(14)3/h4-8H,1-3H3,(H,16,18).
What are the key properties of 2,4-dimethyl-N-(2-methylphenyl)-6-oxopyran-3-carboxamide?
2,4-dimethyl-N-(2-methylphenyl)-6-oxopyran-3-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(2-methylphenyl)-6-oxopyran-3-carboxamide is sourced from PubChem (CID 917461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).