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

C14H21N2O4+ — CID 4299302

IUPAC2,4-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)-6-oxopyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)NCC[NH+]1CCOCC1
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)/p+1
InChIKeyQLRMEVGNRCUYHU-UHFFFAOYSA-O
MW281.33 g/mol
LogP-1.10
Rot. Bonds4

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

2,4-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)-6-oxopyran-3-carboxamide (PubChem CID 4299302) has the molecular formula C14H21N2O4+ and a molecular weight of 281.33 g/mol. Its IUPAC name is 2,4-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)-6-oxopyran-3-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)-6-oxopyran-3-carboxamide
PubChem CID4299302
Molecular FormulaC14H21N2O4+
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name2,4-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)-6-oxopyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)NCC[NH+]1CCOCC1
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)/p+1
InChIKeyQLRMEVGNRCUYHU-UHFFFAOYSA-O
XLogP-1.10
TPSA72.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)-6-oxopyran-3-carboxamide?
The IUPAC name of 2,4-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)-6-oxopyran-3-carboxamide (CID 4299302) is 2,4-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)-6-oxopyran-3-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)-6-oxopyran-3-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)-6-oxopyran-3-carboxamide is Cc1cc(=O)oc(C)c1C(=O)NCC[NH+]1CCOCC1.
What is the InChIKey of 2,4-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)-6-oxopyran-3-carboxamide?
The InChIKey is QLRMEVGNRCUYHU-UHFFFAOYSA-O. 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)/p+1.
What are the key properties of 2,4-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)-6-oxopyran-3-carboxamide?
2,4-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)-6-oxopyran-3-carboxamide has a molecular weight of 281.33 g/mol, XLogP of -1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)-6-oxopyran-3-carboxamide is sourced from PubChem (CID 4299302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).