1-[(4-chlorothieno[3,2-c]pyridin-3-yl)methyl]-2-oxopyrrolidine-3-carboxamide

C13H12ClN3O2S — CID 18176283

IUPAC1-[(4-chlorothieno[3,2-c]pyridin-3-yl)methyl]-2-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(Cc2csc3ccnc(Cl)c23)C1=O
InChIInChI=1S/C13H12ClN3O2S/c14-11-10-7(6-20-9(10)1-3-16-11)5-17-4-2-8(12(15)18)13(17)19/h1,3,6,8H,2,4-5H2,(H2,15,18)
InChIKeyAJTVQMKRQHWNSH-UHFFFAOYSA-N
MW309.78 g/mol
LogP1.78
Rot. Bonds3

About 1-[(4-chlorothieno[3,2-c]pyridin-3-yl)methyl]-2-oxopyrrolidine-3-carboxamide

1-[(4-chlorothieno[3,2-c]pyridin-3-yl)methyl]-2-oxopyrrolidine-3-carboxamide (PubChem CID 18176283) has the molecular formula C13H12ClN3O2S and a molecular weight of 309.78 g/mol. Its IUPAC name is 1-[(4-chlorothieno[3,2-c]pyridin-3-yl)methyl]-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorothieno[3,2-c]pyridin-3-yl)methyl]-2-oxopyrrolidine-3-carboxamide
PubChem CID18176283
Molecular FormulaC13H12ClN3O2S
Molecular Weight309.78 g/mol
Exact Mass309.03
IUPAC Name1-[(4-chlorothieno[3,2-c]pyridin-3-yl)methyl]-2-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(Cc2csc3ccnc(Cl)c23)C1=O
InChIInChI=1S/C13H12ClN3O2S/c14-11-10-7(6-20-9(10)1-3-16-11)5-17-4-2-8(12(15)18)13(17)19/h1,3,6,8H,2,4-5H2,(H2,15,18)
InChIKeyAJTVQMKRQHWNSH-UHFFFAOYSA-N
XLogP1.78
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.78
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3R)-2-oxo-1-[(4-oxo-5H-thieno[3,2-c]pyridin-3-yl)methyl]pyrrolidine-3-carboxamide
CID 70024630
(3S)-1-[(7-aminothieno[2,3-c]pyridin-3-yl)methyl]-2-oxopyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 20680586
1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 140665359
1-[(5-cyano-2-hydroxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 19350876
(3S)-1-[(5-chloro-1H-pyrrolo[3,2-b]pyridin-2-yl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 20680672
(3S)-1-[(4-aminoquinazolin-6-yl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 20680552
(3S)-1-[(4-amino-3-nitrophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 174398302
(3S)-1-[[1-(benzenesulfonyl)-5-chloropyrrolo[3,2-b]pyridin-2-yl]methyl]-2-oxopyrrolidine-3-carboxamide
CID 20680630
(3S)-1-benzyl-3-(3-methylbutanoyl)pyrrolidin-2-one
CID 67492991
(3S)-2-oxo-1-[(3-phenoxyphenyl)methyl]azepane-3-carboxamide
CID 69011862
(3S)-1-[2-(3-bromo-2-chloro-4-pyridinyl)acetyl]piperidine-3-carboxamide
CID 172675086
[4-carbamimidoyl-2-[[(3S)-3-[(4-chlorothieno[3,2-c]pyridin-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]phenyl] 2,2,2-trifluoroacetate
CID 22883610

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorothieno[3,2-c]pyridin-3-yl)methyl]-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[(4-chlorothieno[3,2-c]pyridin-3-yl)methyl]-2-oxopyrrolidine-3-carboxamide (CID 18176283) is 1-[(4-chlorothieno[3,2-c]pyridin-3-yl)methyl]-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorothieno[3,2-c]pyridin-3-yl)methyl]-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorothieno[3,2-c]pyridin-3-yl)methyl]-2-oxopyrrolidine-3-carboxamide is NC(=O)C1CCN(Cc2csc3ccnc(Cl)c23)C1=O.
What is the InChIKey of 1-[(4-chlorothieno[3,2-c]pyridin-3-yl)methyl]-2-oxopyrrolidine-3-carboxamide?
The InChIKey is AJTVQMKRQHWNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2S/c14-11-10-7(6-20-9(10)1-3-16-11)5-17-4-2-8(12(15)18)13(17)19/h1,3,6,8H,2,4-5H2,(H2,15,18).
What are the key properties of 1-[(4-chlorothieno[3,2-c]pyridin-3-yl)methyl]-2-oxopyrrolidine-3-carboxamide?
1-[(4-chlorothieno[3,2-c]pyridin-3-yl)methyl]-2-oxopyrrolidine-3-carboxamide has a molecular weight of 309.78 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorothieno[3,2-c]pyridin-3-yl)methyl]-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 18176283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).