N,N-diethyl-2,4-dimethyl-6-oxopyran-3-carboxamide

C12H17NO3 — CID 110699311

IUPACN,N-diethyl-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCCN(CC)C(=O)c1c(C)cc(=O)oc1C
InChIInChI=1S/C12H17NO3/c1-5-13(6-2)12(15)11-8(3)7-10(14)16-9(11)4/h7H,5-6H2,1-4H3
InChIKeyDSFDGGVOCQJMNM-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.74
Rot. Bonds3

About N,N-diethyl-2,4-dimethyl-6-oxopyran-3-carboxamide

N,N-diethyl-2,4-dimethyl-6-oxopyran-3-carboxamide (PubChem CID 110699311) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is N,N-diethyl-2,4-dimethyl-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2,4-dimethyl-6-oxopyran-3-carboxamide
PubChem CID110699311
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameN,N-diethyl-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCCN(CC)C(=O)c1c(C)cc(=O)oc1C
InChIInChI=1S/C12H17NO3/c1-5-13(6-2)12(15)11-8(3)7-10(14)16-9(11)4/h7H,5-6H2,1-4H3
InChIKeyDSFDGGVOCQJMNM-UHFFFAOYSA-N
XLogP1.74
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,4-dimethyl-6-oxopyran-3-carboxamide?
The IUPAC name of N,N-diethyl-2,4-dimethyl-6-oxopyran-3-carboxamide (CID 110699311) is N,N-diethyl-2,4-dimethyl-6-oxopyran-3-carboxamide.
What is the SMILES notation for N,N-diethyl-2,4-dimethyl-6-oxopyran-3-carboxamide?
The canonical SMILES for N,N-diethyl-2,4-dimethyl-6-oxopyran-3-carboxamide is CCN(CC)C(=O)c1c(C)cc(=O)oc1C.
What is the InChIKey of N,N-diethyl-2,4-dimethyl-6-oxopyran-3-carboxamide?
The InChIKey is DSFDGGVOCQJMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-5-13(6-2)12(15)11-8(3)7-10(14)16-9(11)4/h7H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-2,4-dimethyl-6-oxopyran-3-carboxamide?
N,N-diethyl-2,4-dimethyl-6-oxopyran-3-carboxamide has a molecular weight of 223.27 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,4-dimethyl-6-oxopyran-3-carboxamide is sourced from PubChem (CID 110699311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).