4-methyl-1-(2-morpholin-4-ylethyl)-3-(thiomorpholine-4-carbonyl)pyridin-2-one

C17H25N3O3S — CID 172661079

IUPAC4-methyl-1-(2-morpholin-4-ylethyl)-3-(thiomorpholine-4-carbonyl)pyridin-2-one
SMILESCc1ccn(CCN2CCOCC2)c(=O)c1C(=O)N1CCSCC1
InChIInChI=1S/C17H25N3O3S/c1-14-2-3-19(5-4-18-6-10-23-11-7-18)16(21)15(14)17(22)20-8-12-24-13-9-20/h2-3H,4-13H2,1H3
InChIKeyZVWCKZRHGIYXFG-UHFFFAOYSA-N
MW351.47 g/mol
LogP0.68
Rot. Bonds4

About 4-methyl-1-(2-morpholin-4-ylethyl)-3-(thiomorpholine-4-carbonyl)pyridin-2-one

4-methyl-1-(2-morpholin-4-ylethyl)-3-(thiomorpholine-4-carbonyl)pyridin-2-one (PubChem CID 172661079) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 4-methyl-1-(2-morpholin-4-ylethyl)-3-(thiomorpholine-4-carbonyl)pyridin-2-one.

Molecular Properties

Compound Name4-methyl-1-(2-morpholin-4-ylethyl)-3-(thiomorpholine-4-carbonyl)pyridin-2-one
PubChem CID172661079
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name4-methyl-1-(2-morpholin-4-ylethyl)-3-(thiomorpholine-4-carbonyl)pyridin-2-one
SMILESCc1ccn(CCN2CCOCC2)c(=O)c1C(=O)N1CCSCC1
InChIInChI=1S/C17H25N3O3S/c1-14-2-3-19(5-4-18-6-10-23-11-7-18)16(21)15(14)17(22)20-8-12-24-13-9-20/h2-3H,4-13H2,1H3
InChIKeyZVWCKZRHGIYXFG-UHFFFAOYSA-N
XLogP0.68
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-1-(2-morpholin-4-ylethyl)-3-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)pyridin-2-one
CID 172668924
2,3-dimethyl-6-[4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 172666948
4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-3-(thiomorpholine-4-carbonyl)pyridin-2-one
CID 172656981
N,4-dimethyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 172656685
4-methyl-3-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1-(2-phenylethyl)pyridin-2-one
CID 172655374
N,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide
CID 172664746
4-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide
CID 172664470
4-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide
CID 172660022
4-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide
CID 172669382
4-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-N-(1-oxo-2,3-dihydroisoindol-4-yl)pyridine-3-carboxamide
CID 175640604
4-methyl-2-oxo-1-(4-pyrrolidin-1-ylbutyl)pyridine-3-carboxylic acid
CID 170506720
1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(3-morpholin-4-ylazetidine-1-carbonyl)pyridin-2-one
CID 172657082

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-morpholin-4-ylethyl)-3-(thiomorpholine-4-carbonyl)pyridin-2-one?
The IUPAC name of 4-methyl-1-(2-morpholin-4-ylethyl)-3-(thiomorpholine-4-carbonyl)pyridin-2-one (CID 172661079) is 4-methyl-1-(2-morpholin-4-ylethyl)-3-(thiomorpholine-4-carbonyl)pyridin-2-one.
What is the SMILES notation for 4-methyl-1-(2-morpholin-4-ylethyl)-3-(thiomorpholine-4-carbonyl)pyridin-2-one?
The canonical SMILES for 4-methyl-1-(2-morpholin-4-ylethyl)-3-(thiomorpholine-4-carbonyl)pyridin-2-one is Cc1ccn(CCN2CCOCC2)c(=O)c1C(=O)N1CCSCC1.
What is the InChIKey of 4-methyl-1-(2-morpholin-4-ylethyl)-3-(thiomorpholine-4-carbonyl)pyridin-2-one?
The InChIKey is ZVWCKZRHGIYXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-14-2-3-19(5-4-18-6-10-23-11-7-18)16(21)15(14)17(22)20-8-12-24-13-9-20/h2-3H,4-13H2,1H3.
What are the key properties of 4-methyl-1-(2-morpholin-4-ylethyl)-3-(thiomorpholine-4-carbonyl)pyridin-2-one?
4-methyl-1-(2-morpholin-4-ylethyl)-3-(thiomorpholine-4-carbonyl)pyridin-2-one has a molecular weight of 351.47 g/mol, XLogP of 0.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-morpholin-4-ylethyl)-3-(thiomorpholine-4-carbonyl)pyridin-2-one is sourced from PubChem (CID 172661079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).