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

C14H20N2O4 — CID 659434

IUPAC2,4-dimethyl-N-(2-morpholin-4-ylethyl)-6-oxopyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)NCCN1CCOCC1
InChIInChI=1S/C14H20N2O4/c1-10-9-12(17)20-11(2)13(10)14(18)15-3-4-16-5-7-19-8-6-16/h9H,3-8H2,1-2H3,(H,15,18)
InChIKeyQLRMEVGNRCUYHU-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.32
Rot. Bonds4

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

2,4-dimethyl-N-(2-morpholin-4-ylethyl)-6-oxopyran-3-carboxamide (PubChem CID 659434) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2,4-dimethyl-N-(2-morpholin-4-ylethyl)-6-oxopyran-3-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(2-morpholin-4-ylethyl)-6-oxopyran-3-carboxamide
PubChem CID659434
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2,4-dimethyl-N-(2-morpholin-4-ylethyl)-6-oxopyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)NCCN1CCOCC1
InChIInChI=1S/C14H20N2O4/c1-10-9-12(17)20-11(2)13(10)14(18)15-3-4-16-5-7-19-8-6-16/h9H,3-8H2,1-2H3,(H,15,18)
InChIKeyQLRMEVGNRCUYHU-UHFFFAOYSA-N
XLogP0.32
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(2-morpholin-4-ylethyl)-6-oxopyran-3-carboxamide?
The IUPAC name of 2,4-dimethyl-N-(2-morpholin-4-ylethyl)-6-oxopyran-3-carboxamide (CID 659434) is 2,4-dimethyl-N-(2-morpholin-4-ylethyl)-6-oxopyran-3-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(2-morpholin-4-ylethyl)-6-oxopyran-3-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(2-morpholin-4-ylethyl)-6-oxopyran-3-carboxamide is Cc1cc(=O)oc(C)c1C(=O)NCCN1CCOCC1.
What is the InChIKey of 2,4-dimethyl-N-(2-morpholin-4-ylethyl)-6-oxopyran-3-carboxamide?
The InChIKey is QLRMEVGNRCUYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10-9-12(17)20-11(2)13(10)14(18)15-3-4-16-5-7-19-8-6-16/h9H,3-8H2,1-2H3,(H,15,18).
What are the key properties of 2,4-dimethyl-N-(2-morpholin-4-ylethyl)-6-oxopyran-3-carboxamide?
2,4-dimethyl-N-(2-morpholin-4-ylethyl)-6-oxopyran-3-carboxamide has a molecular weight of 280.32 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(2-morpholin-4-ylethyl)-6-oxopyran-3-carboxamide is sourced from PubChem (CID 659434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).