1-(1,1-dioxothiolan-3-yl)-N-(2-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide

C15H19N3O5S — CID 47043626

IUPAC1-(1,1-dioxothiolan-3-yl)-N-(2-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ncccc1NC(=O)C1CC(=O)N(C2CCS(=O)(=O)C2)C1
InChIInChI=1S/C15H19N3O5S/c1-23-15-12(3-2-5-16-15)17-14(20)10-7-13(19)18(8-10)11-4-6-24(21,22)9-11/h2-3,5,10-11H,4,6-9H2,1H3,(H,17,20)
InChIKeyBXNMFSAFGABFRK-UHFFFAOYSA-N
MW353.40 g/mol
LogP0.06
Rot. Bonds4

About 1-(1,1-dioxothiolan-3-yl)-N-(2-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide

1-(1,1-dioxothiolan-3-yl)-N-(2-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 47043626) has the molecular formula C15H19N3O5S and a molecular weight of 353.40 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-N-(2-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-N-(2-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID47043626
Molecular FormulaC15H19N3O5S
Molecular Weight353.40 g/mol
Exact Mass353.10
IUPAC Name1-(1,1-dioxothiolan-3-yl)-N-(2-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ncccc1NC(=O)C1CC(=O)N(C2CCS(=O)(=O)C2)C1
InChIInChI=1S/C15H19N3O5S/c1-23-15-12(3-2-5-16-15)17-14(20)10-7-13(19)18(8-10)11-4-6-24(21,22)9-11/h2-3,5,10-11H,4,6-9H2,1H3,(H,17,20)
InChIKeyBXNMFSAFGABFRK-UHFFFAOYSA-N
XLogP0.06
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-1-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113184833
N-(2-tert-butylphenyl)-1-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113184809
N-(2,4-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113184794
N-(2-acetamido-3-pyridinyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 75455550
(3S)-N-(2-acetamido-3-pyridinyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 97352252
N-(2-methoxy-3-pyridinyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 53499094
N-(3-acetylphenyl)-1-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113184838
1-(1,1-dioxothiolan-3-yl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113184801
(3R)-1-cyclopentyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9364595
(3S)-1-[(3R)-1,1-dioxothiolan-3-yl]-5-oxo-N-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 51727389
1-(1,1-dioxothiolan-3-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 120883738
1-(1,1-dioxothiolan-3-yl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113184836

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-(2-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-(2-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide (CID 47043626) is 1-(1,1-dioxothiolan-3-yl)-N-(2-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-N-(2-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-N-(2-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide is COc1ncccc1NC(=O)C1CC(=O)N(C2CCS(=O)(=O)C2)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-N-(2-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BXNMFSAFGABFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5S/c1-23-15-12(3-2-5-16-15)17-14(20)10-7-13(19)18(8-10)11-4-6-24(21,22)9-11/h2-3,5,10-11H,4,6-9H2,1H3,(H,17,20).
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-N-(2-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
1-(1,1-dioxothiolan-3-yl)-N-(2-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-N-(2-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 47043626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).