1-(2-methoxyethyl)-5-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]pyridin-2-one

C16H25N3O4 — CID 87054491

IUPAC1-(2-methoxyethyl)-5-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]pyridin-2-one
SMILESCOCCn1cc(CN(C)CC(=O)N2CCOCC2)ccc1=O
InChIInChI=1S/C16H25N3O4/c1-17(13-16(21)18-6-9-23-10-7-18)11-14-3-4-15(20)19(12-14)5-8-22-2/h3-4,12H,5-11,13H2,1-2H3
InChIKeyMDKRLQCUVWXHSN-UHFFFAOYSA-N
MW323.39 g/mol
LogP-0.21
Rot. Bonds7

About 1-(2-methoxyethyl)-5-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]pyridin-2-one

1-(2-methoxyethyl)-5-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]pyridin-2-one (PubChem CID 87054491) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]pyridin-2-one
PubChem CID87054491
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name1-(2-methoxyethyl)-5-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]pyridin-2-one
SMILESCOCCn1cc(CN(C)CC(=O)N2CCOCC2)ccc1=O
InChIInChI=1S/C16H25N3O4/c1-17(13-16(21)18-6-9-23-10-7-18)11-14-3-4-15(20)19(12-14)5-8-22-2/h3-4,12H,5-11,13H2,1-2H3
InChIKeyMDKRLQCUVWXHSN-UHFFFAOYSA-N
XLogP-0.21
TPSA64.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]pyridin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-5-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]pyridin-2-one (CID 87054491) is 1-(2-methoxyethyl)-5-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]pyridin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-5-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]pyridin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-5-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]pyridin-2-one is COCCn1cc(CN(C)CC(=O)N2CCOCC2)ccc1=O.
What is the InChIKey of 1-(2-methoxyethyl)-5-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]pyridin-2-one?
The InChIKey is MDKRLQCUVWXHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-17(13-16(21)18-6-9-23-10-7-18)11-14-3-4-15(20)19(12-14)5-8-22-2/h3-4,12H,5-11,13H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-5-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]pyridin-2-one?
1-(2-methoxyethyl)-5-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]pyridin-2-one has a molecular weight of 323.39 g/mol, XLogP of -0.21, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]pyridin-2-one is sourced from PubChem (CID 87054491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).