[1-(4-amino-6-bromo-5-cyano-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C11H12BrN5O3S — CID 168682382

IUPAC[1-(4-amino-6-bromo-5-cyano-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESN#Cc1c(N)cc(N2CC(CS(N)(=O)=O)CC2=O)nc1Br
InChIInChI=1S/C11H12BrN5O3S/c12-11-7(3-13)8(14)2-9(16-11)17-4-6(1-10(17)18)5-21(15,19)20/h2,6H,1,4-5H2,(H2,14,16)(H2,15,19,20)
InChIKeyZNTBOONHKVWSJQ-UHFFFAOYSA-N
MW374.22 g/mol
LogP-0.06
Rot. Bonds3

About [1-(4-amino-6-bromo-5-cyano-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-(4-amino-6-bromo-5-cyano-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168682382) has the molecular formula C11H12BrN5O3S and a molecular weight of 374.22 g/mol. Its IUPAC name is [1-(4-amino-6-bromo-5-cyano-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(4-amino-6-bromo-5-cyano-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168682382
Molecular FormulaC11H12BrN5O3S
Molecular Weight374.22 g/mol
Exact Mass372.98
IUPAC Name[1-(4-amino-6-bromo-5-cyano-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESN#Cc1c(N)cc(N2CC(CS(N)(=O)=O)CC2=O)nc1Br
InChIInChI=1S/C11H12BrN5O3S/c12-11-7(3-13)8(14)2-9(16-11)17-4-6(1-10(17)18)5-21(15,19)20/h2,6H,1,4-5H2,(H2,14,16)(H2,15,19,20)
InChIKeyZNTBOONHKVWSJQ-UHFFFAOYSA-N
XLogP-0.06
TPSA143.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.22
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-bromo-6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile
CID 168663422
4-amino-2-bromo-6-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-3-carbonitrile
CID 168689032
S-[[1-(4-amino-6-bromo-5-cyano-2-pyridinyl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168668057
[1-(6-bromo-4-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681589
[1-(5-cyano-6-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681535
[1-(5-bromo-4,6-dimethyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681636
[1-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681244
[1-(4-cyano-2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682303
[1-(5-bromo-6-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681534
[1-(4-cyano-1,3-dimethylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681764
[1-(5-chloro-1H-pyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683032
[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683120

Frequently Asked Questions

What is the IUPAC name of [1-(4-amino-6-bromo-5-cyano-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(4-amino-6-bromo-5-cyano-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168682382) is [1-(4-amino-6-bromo-5-cyano-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(4-amino-6-bromo-5-cyano-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(4-amino-6-bromo-5-cyano-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is N#Cc1c(N)cc(N2CC(CS(N)(=O)=O)CC2=O)nc1Br.
What is the InChIKey of [1-(4-amino-6-bromo-5-cyano-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is ZNTBOONHKVWSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5O3S/c12-11-7(3-13)8(14)2-9(16-11)17-4-6(1-10(17)18)5-21(15,19)20/h2,6H,1,4-5H2,(H2,14,16)(H2,15,19,20).
What are the key properties of [1-(4-amino-6-bromo-5-cyano-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(4-amino-6-bromo-5-cyano-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 374.22 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-amino-6-bromo-5-cyano-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168682382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).