4-methoxy-1-methyl-5-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidine-1-carbonyl]pyridin-2-one

C14H16N4O4S — CID 126855456

IUPAC4-methoxy-1-methyl-5-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidine-1-carbonyl]pyridin-2-one
SMILESCOc1cc(=O)n(C)cc1C(=O)N1CCC(Oc2cnsn2)C1
InChIInChI=1S/C14H16N4O4S/c1-17-8-10(11(21-2)5-13(17)19)14(20)18-4-3-9(7-18)22-12-6-15-23-16-12/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyKBEBXAOJJIJVKQ-UHFFFAOYSA-N
MW336.37 g/mol
LogP0.54
Rot. Bonds4

About 4-methoxy-1-methyl-5-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidine-1-carbonyl]pyridin-2-one

4-methoxy-1-methyl-5-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidine-1-carbonyl]pyridin-2-one (PubChem CID 126855456) has the molecular formula C14H16N4O4S and a molecular weight of 336.37 g/mol. Its IUPAC name is 4-methoxy-1-methyl-5-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name4-methoxy-1-methyl-5-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidine-1-carbonyl]pyridin-2-one
PubChem CID126855456
Molecular FormulaC14H16N4O4S
Molecular Weight336.37 g/mol
Exact Mass336.09
IUPAC Name4-methoxy-1-methyl-5-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidine-1-carbonyl]pyridin-2-one
SMILESCOc1cc(=O)n(C)cc1C(=O)N1CCC(Oc2cnsn2)C1
InChIInChI=1S/C14H16N4O4S/c1-17-8-10(11(21-2)5-13(17)19)14(20)18-4-3-9(7-18)22-12-6-15-23-16-12/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyKBEBXAOJJIJVKQ-UHFFFAOYSA-N
XLogP0.54
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone
CID 131702270
(2-ethylsulfanylphenyl)-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]methanone
CID 131702264
3-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 100630515
4-methoxy-1-methyl-5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyridin-2-one
CID 126852228
4-methoxy-1-methyl-5-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carbonyl]pyridin-2-one
CID 126889649
(2,4-dimethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636093
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 90639283
(2-chlorophenyl)-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90639091
4-methoxy-1-methyl-5-[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidine-1-carbonyl]pyridin-2-one
CID 126911212
5-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-4-methoxy-1-methylpyridin-2-one
CID 126910517
2-(2-chloro-6-fluorophenyl)-1-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]ethanone
CID 126853870
(3-methoxy-1-methylpyrazol-4-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 91626657

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methyl-5-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidine-1-carbonyl]pyridin-2-one?
The IUPAC name of 4-methoxy-1-methyl-5-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidine-1-carbonyl]pyridin-2-one (CID 126855456) is 4-methoxy-1-methyl-5-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 4-methoxy-1-methyl-5-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 4-methoxy-1-methyl-5-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidine-1-carbonyl]pyridin-2-one is COc1cc(=O)n(C)cc1C(=O)N1CCC(Oc2cnsn2)C1.
What is the InChIKey of 4-methoxy-1-methyl-5-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidine-1-carbonyl]pyridin-2-one?
The InChIKey is KBEBXAOJJIJVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4S/c1-17-8-10(11(21-2)5-13(17)19)14(20)18-4-3-9(7-18)22-12-6-15-23-16-12/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 4-methoxy-1-methyl-5-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidine-1-carbonyl]pyridin-2-one?
4-methoxy-1-methyl-5-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidine-1-carbonyl]pyridin-2-one has a molecular weight of 336.37 g/mol, XLogP of 0.54, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methyl-5-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 126855456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).