N,3,5,6-tetramethyl-4-oxopyran-2-carboxamide

C10H13NO3 — CID 20716494

IUPACN,3,5,6-tetramethyl-4-oxopyran-2-carboxamide
SMILESCNC(=O)c1oc(C)c(C)c(=O)c1C
InChIInChI=1S/C10H13NO3/c1-5-7(3)14-9(10(13)11-4)6(2)8(5)12/h1-4H3,(H,11,13)
InChIKeyKLSWHHIHPZNDRD-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.92
Rot. Bonds1

About N,3,5,6-tetramethyl-4-oxopyran-2-carboxamide

N,3,5,6-tetramethyl-4-oxopyran-2-carboxamide (PubChem CID 20716494) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is N,3,5,6-tetramethyl-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN,3,5,6-tetramethyl-4-oxopyran-2-carboxamide
PubChem CID20716494
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC NameN,3,5,6-tetramethyl-4-oxopyran-2-carboxamide
SMILESCNC(=O)c1oc(C)c(C)c(=O)c1C
InChIInChI=1S/C10H13NO3/c1-5-7(3)14-9(10(13)11-4)6(2)8(5)12/h1-4H3,(H,11,13)
InChIKeyKLSWHHIHPZNDRD-UHFFFAOYSA-N
XLogP0.92
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3,5,6-tetramethyl-4-oxopyran-2-carboxamide?
The IUPAC name of N,3,5,6-tetramethyl-4-oxopyran-2-carboxamide (CID 20716494) is N,3,5,6-tetramethyl-4-oxopyran-2-carboxamide.
What is the SMILES notation for N,3,5,6-tetramethyl-4-oxopyran-2-carboxamide?
The canonical SMILES for N,3,5,6-tetramethyl-4-oxopyran-2-carboxamide is CNC(=O)c1oc(C)c(C)c(=O)c1C.
What is the InChIKey of N,3,5,6-tetramethyl-4-oxopyran-2-carboxamide?
The InChIKey is KLSWHHIHPZNDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-5-7(3)14-9(10(13)11-4)6(2)8(5)12/h1-4H3,(H,11,13).
What are the key properties of N,3,5,6-tetramethyl-4-oxopyran-2-carboxamide?
N,3,5,6-tetramethyl-4-oxopyran-2-carboxamide has a molecular weight of 195.22 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5,6-tetramethyl-4-oxopyran-2-carboxamide is sourced from PubChem (CID 20716494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).