4,6-dimethyl-3-(2-thiophen-2-ylmorpholine-4-carbonyl)-1H-pyridin-2-one

C16H18N2O3S — CID 75381004

IUPAC4,6-dimethyl-3-(2-thiophen-2-ylmorpholine-4-carbonyl)-1H-pyridin-2-one
SMILESCc1cc(C)c(C(=O)N2CCOC(c3cccs3)C2)c(=O)[nH]1
InChIInChI=1S/C16H18N2O3S/c1-10-8-11(2)17-15(19)14(10)16(20)18-5-6-21-12(9-18)13-4-3-7-22-13/h3-4,7-8,12H,5-6,9H2,1-2H3,(H,17,19)
InChIKeyDYSMBGVTRGOHQW-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.27
Rot. Bonds2

About 4,6-dimethyl-3-(2-thiophen-2-ylmorpholine-4-carbonyl)-1H-pyridin-2-one

4,6-dimethyl-3-(2-thiophen-2-ylmorpholine-4-carbonyl)-1H-pyridin-2-one (PubChem CID 75381004) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 4,6-dimethyl-3-(2-thiophen-2-ylmorpholine-4-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-3-(2-thiophen-2-ylmorpholine-4-carbonyl)-1H-pyridin-2-one
PubChem CID75381004
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name4,6-dimethyl-3-(2-thiophen-2-ylmorpholine-4-carbonyl)-1H-pyridin-2-one
SMILESCc1cc(C)c(C(=O)N2CCOC(c3cccs3)C2)c(=O)[nH]1
InChIInChI=1S/C16H18N2O3S/c1-10-8-11(2)17-15(19)14(10)16(20)18-5-6-21-12(9-18)13-4-3-7-22-13/h3-4,7-8,12H,5-6,9H2,1-2H3,(H,17,19)
InChIKeyDYSMBGVTRGOHQW-UHFFFAOYSA-N
XLogP2.27
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-(2-thiophen-2-ylmorpholine-4-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 4,6-dimethyl-3-(2-thiophen-2-ylmorpholine-4-carbonyl)-1H-pyridin-2-one (CID 75381004) is 4,6-dimethyl-3-(2-thiophen-2-ylmorpholine-4-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 4,6-dimethyl-3-(2-thiophen-2-ylmorpholine-4-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 4,6-dimethyl-3-(2-thiophen-2-ylmorpholine-4-carbonyl)-1H-pyridin-2-one is Cc1cc(C)c(C(=O)N2CCOC(c3cccs3)C2)c(=O)[nH]1.
What is the InChIKey of 4,6-dimethyl-3-(2-thiophen-2-ylmorpholine-4-carbonyl)-1H-pyridin-2-one?
The InChIKey is DYSMBGVTRGOHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-10-8-11(2)17-15(19)14(10)16(20)18-5-6-21-12(9-18)13-4-3-7-22-13/h3-4,7-8,12H,5-6,9H2,1-2H3,(H,17,19).
What are the key properties of 4,6-dimethyl-3-(2-thiophen-2-ylmorpholine-4-carbonyl)-1H-pyridin-2-one?
4,6-dimethyl-3-(2-thiophen-2-ylmorpholine-4-carbonyl)-1H-pyridin-2-one has a molecular weight of 318.40 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-(2-thiophen-2-ylmorpholine-4-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 75381004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).