[1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C13H14N4O3S — CID 168683370

IUPAC[1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2nccc3cccnc23)C1
InChIInChI=1S/C13H14N4O3S/c14-21(19,20)8-9-6-11(18)17(7-9)13-12-10(3-5-16-13)2-1-4-15-12/h1-5,9H,6-8H2,(H2,14,19,20)
InChIKeyAMCAJXACXAHVJR-UHFFFAOYSA-N
MW306.35 g/mol
LogP0.27
Rot. Bonds3

About [1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168683370) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is [1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168683370
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC Name[1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2nccc3cccnc23)C1
InChIInChI=1S/C13H14N4O3S/c14-21(19,20)8-9-6-11(18)17(7-9)13-12-10(3-5-16-13)2-1-4-15-12/h1-5,9H,6-8H2,(H2,14,19,20)
InChIKeyAMCAJXACXAHVJR-UHFFFAOYSA-N
XLogP0.27
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(bromomethyl)-1-(1,7-naphthyridin-8-yl)pyrrolidin-2-one
CID 168506372
1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712978
[1-(8-methylquinolin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681419
(5-oxo-1-quinolin-4-ylpyrrolidin-3-yl)methanesulfonamide
CID 168683221
[1-(3-bromo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677375
[1-(2-fluoro-4-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683056
[1-(3-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674271
(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonamide
CID 168683247
[1-(5-bromo-3-hydroxy-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682336
[1-(2-isoquinolin-1-ylethyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682033
[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 97297929
[1-(4,6-diamino-1,3,5-triazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683300

Frequently Asked Questions

What is the IUPAC name of [1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168683370) is [1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)CC1CC(=O)N(c2nccc3cccnc23)C1.
What is the InChIKey of [1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is AMCAJXACXAHVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c14-21(19,20)8-9-6-11(18)17(7-9)13-12-10(3-5-16-13)2-1-4-15-12/h1-5,9H,6-8H2,(H2,14,19,20).
What are the key properties of [1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 306.35 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168683370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).