(3R)-2-oxo-1-[(4-oxo-5H-thieno[3,2-c]pyridin-3-yl)methyl]pyrrolidine-3-carboxamide

C13H13N3O3S — CID 70024630

IUPAC(3R)-2-oxo-1-[(4-oxo-5H-thieno[3,2-c]pyridin-3-yl)methyl]pyrrolidine-3-carboxamide
SMILESNC(=O)[C@H]1CCN(Cc2csc3cc[nH]c(=O)c23)C1=O
InChIInChI=1S/C13H13N3O3S/c14-11(17)8-2-4-16(13(8)19)5-7-6-20-9-1-3-15-12(18)10(7)9/h1,3,6,8H,2,4-5H2,(H2,14,17)(H,15,18)/t8-/m1/s1
InChIKeyYKPSSPROQVINNU-MRVPVSSYSA-N
MW291.33 g/mol
LogP0.42
Rot. Bonds3

About (3R)-2-oxo-1-[(4-oxo-5H-thieno[3,2-c]pyridin-3-yl)methyl]pyrrolidine-3-carboxamide

(3R)-2-oxo-1-[(4-oxo-5H-thieno[3,2-c]pyridin-3-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 70024630) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is (3R)-2-oxo-1-[(4-oxo-5H-thieno[3,2-c]pyridin-3-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-2-oxo-1-[(4-oxo-5H-thieno[3,2-c]pyridin-3-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID70024630
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Name(3R)-2-oxo-1-[(4-oxo-5H-thieno[3,2-c]pyridin-3-yl)methyl]pyrrolidine-3-carboxamide
SMILESNC(=O)[C@H]1CCN(Cc2csc3cc[nH]c(=O)c23)C1=O
InChIInChI=1S/C13H13N3O3S/c14-11(17)8-2-4-16(13(8)19)5-7-6-20-9-1-3-15-12(18)10(7)9/h1,3,6,8H,2,4-5H2,(H2,14,17)(H,15,18)/t8-/m1/s1
InChIKeyYKPSSPROQVINNU-MRVPVSSYSA-N
XLogP0.42
TPSA96.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[(4-chlorothieno[3,2-c]pyridin-3-yl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 18176283
(3S)-1-[(7-aminothieno[2,3-c]pyridin-3-yl)methyl]-2-oxopyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 20680586
1-[(5-cyano-2-hydroxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 19350876
1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 140665359
(3S)-1-[(5-chloro-1H-pyrrolo[3,2-b]pyridin-2-yl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 20680672
3-methyl-5H-thieno[3,2-c]pyridin-4-one
CID 11600726
(3S)-1-[(4-amino-3-nitrophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 174398302
(3S)-1-[(4-aminoquinazolin-6-yl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 20680552
(3S)-2-oxo-1-[(3-phenoxyphenyl)methyl]azepane-3-carboxamide
CID 69011862
1-(1-benzothiophen-3-ylmethyl)-3-methyl-1,4-diazepan-2-one
CID 63736749
1-(1-benzothiophen-3-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 51087745
1-ethenyl-2-oxopyrrolidine-3-carboxamide
CID 134257442

Frequently Asked Questions

What is the IUPAC name of (3R)-2-oxo-1-[(4-oxo-5H-thieno[3,2-c]pyridin-3-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-2-oxo-1-[(4-oxo-5H-thieno[3,2-c]pyridin-3-yl)methyl]pyrrolidine-3-carboxamide (CID 70024630) is (3R)-2-oxo-1-[(4-oxo-5H-thieno[3,2-c]pyridin-3-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-2-oxo-1-[(4-oxo-5H-thieno[3,2-c]pyridin-3-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-2-oxo-1-[(4-oxo-5H-thieno[3,2-c]pyridin-3-yl)methyl]pyrrolidine-3-carboxamide is NC(=O)[C@H]1CCN(Cc2csc3cc[nH]c(=O)c23)C1=O.
What is the InChIKey of (3R)-2-oxo-1-[(4-oxo-5H-thieno[3,2-c]pyridin-3-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is YKPSSPROQVINNU-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c14-11(17)8-2-4-16(13(8)19)5-7-6-20-9-1-3-15-12(18)10(7)9/h1,3,6,8H,2,4-5H2,(H2,14,17)(H,15,18)/t8-/m1/s1.
What are the key properties of (3R)-2-oxo-1-[(4-oxo-5H-thieno[3,2-c]pyridin-3-yl)methyl]pyrrolidine-3-carboxamide?
(3R)-2-oxo-1-[(4-oxo-5H-thieno[3,2-c]pyridin-3-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 291.33 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-oxo-1-[(4-oxo-5H-thieno[3,2-c]pyridin-3-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 70024630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).