2-methyl-3-(3-morpholin-4-yl-3-oxopropoxy)-1H-pyridin-4-one

C13H18N2O4 — CID 82064548

IUPAC2-methyl-3-(3-morpholin-4-yl-3-oxopropoxy)-1H-pyridin-4-one
SMILESCc1[nH]ccc(=O)c1OCCC(=O)N1CCOCC1
InChIInChI=1S/C13H18N2O4/c1-10-13(11(16)2-4-14-10)19-7-3-12(17)15-5-8-18-9-6-15/h2,4H,3,5-9H2,1H3,(H,14,16)
InChIKeyXAIBAMDZVYVIRY-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.31
Rot. Bonds4

About 2-methyl-3-(3-morpholin-4-yl-3-oxopropoxy)-1H-pyridin-4-one

2-methyl-3-(3-morpholin-4-yl-3-oxopropoxy)-1H-pyridin-4-one (PubChem CID 82064548) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-methyl-3-(3-morpholin-4-yl-3-oxopropoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-methyl-3-(3-morpholin-4-yl-3-oxopropoxy)-1H-pyridin-4-one
PubChem CID82064548
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-methyl-3-(3-morpholin-4-yl-3-oxopropoxy)-1H-pyridin-4-one
SMILESCc1[nH]ccc(=O)c1OCCC(=O)N1CCOCC1
InChIInChI=1S/C13H18N2O4/c1-10-13(11(16)2-4-14-10)19-7-3-12(17)15-5-8-18-9-6-15/h2,4H,3,5-9H2,1H3,(H,14,16)
InChIKeyXAIBAMDZVYVIRY-UHFFFAOYSA-N
XLogP0.31
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 3-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]propanoate
CID 19862596
Ethyl 3-[[1-(2-ethoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxycarbonylamino]propanoate
CID 19862597
2-{5-Methoxy-2-[(morpholin-4-YL)methyl]-4-oxo-1,4-dihydropyridin-1-YL}-N-propylacetamide
CID 27636527
2-(hydroxymethyl)-5-(3-morpholin-4-yl-3-oxopropoxy)-1H-pyridin-4-one
CID 82063850
2-methyl-3-(3-oxo-3-piperidin-1-ylpropoxy)-1H-pyridin-4-one
CID 82064544
2-methyl-3-[3-(4-methylpiperidin-1-yl)-3-oxopropoxy]-1H-pyridin-4-one
CID 82064546
2-Methyl-3-(3-morpholin-4-yl-3-oxopropoxy)pyran-4-one
CID 82064547
2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one
CID 82064552
N,N-diethyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 82064557
2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N,N-dipropylacetamide
CID 82064559
N-butyl-N-methyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 82064561
N-(2-methoxyethyl)-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 82064563

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-morpholin-4-yl-3-oxopropoxy)-1H-pyridin-4-one?
The IUPAC name of 2-methyl-3-(3-morpholin-4-yl-3-oxopropoxy)-1H-pyridin-4-one (CID 82064548) is 2-methyl-3-(3-morpholin-4-yl-3-oxopropoxy)-1H-pyridin-4-one.
What is the SMILES notation for 2-methyl-3-(3-morpholin-4-yl-3-oxopropoxy)-1H-pyridin-4-one?
The canonical SMILES for 2-methyl-3-(3-morpholin-4-yl-3-oxopropoxy)-1H-pyridin-4-one is Cc1[nH]ccc(=O)c1OCCC(=O)N1CCOCC1.
What is the InChIKey of 2-methyl-3-(3-morpholin-4-yl-3-oxopropoxy)-1H-pyridin-4-one?
The InChIKey is XAIBAMDZVYVIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-10-13(11(16)2-4-14-10)19-7-3-12(17)15-5-8-18-9-6-15/h2,4H,3,5-9H2,1H3,(H,14,16).
What are the key properties of 2-methyl-3-(3-morpholin-4-yl-3-oxopropoxy)-1H-pyridin-4-one?
2-methyl-3-(3-morpholin-4-yl-3-oxopropoxy)-1H-pyridin-4-one has a molecular weight of 266.30 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-morpholin-4-yl-3-oxopropoxy)-1H-pyridin-4-one is sourced from PubChem (CID 82064548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).