1-(5-bromo-3-cyano-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide

C11H9BrN4O2 — CID 168697511

IUPAC1-(5-bromo-3-cyano-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESN#Cc1cc(Br)cnc1N1CC(C(N)=O)CC1=O
InChIInChI=1S/C11H9BrN4O2/c12-8-1-6(3-13)11(15-4-8)16-5-7(10(14)18)2-9(16)17/h1,4,7H,2,5H2,(H2,14,18)
InChIKeyNGDFIOJCOBORRD-UHFFFAOYSA-N
MW309.12 g/mol
LogP0.55
Rot. Bonds2

About 1-(5-bromo-3-cyano-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide

1-(5-bromo-3-cyano-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 168697511) has the molecular formula C11H9BrN4O2 and a molecular weight of 309.12 g/mol. Its IUPAC name is 1-(5-bromo-3-cyano-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-3-cyano-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID168697511
Molecular FormulaC11H9BrN4O2
Molecular Weight309.12 g/mol
Exact Mass307.99
IUPAC Name1-(5-bromo-3-cyano-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESN#Cc1cc(Br)cnc1N1CC(C(N)=O)CC1=O
InChIInChI=1S/C11H9BrN4O2/c12-8-1-6(3-13)11(15-4-8)16-5-7(10(14)18)2-9(16)17/h1,4,7H,2,5H2,(H2,14,18)
InChIKeyNGDFIOJCOBORRD-UHFFFAOYSA-N
XLogP0.55
TPSA100.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.12
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-3-fluoro-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168697582
1-(3-amino-5-bromopyrazin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698071
1-(5-bromo-3-cyano-2-pyridinyl)piperidine-3-carboxamide
CID 172899347
1-(3-amino-5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692100
1-(3,5-dichloro-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168698108
1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-carboxamide
CID 168698103
5-bromo-2-(4-carboxy-2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 168691534
1-(3,5-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168696816
1-(5-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698124
methyl 5-bromo-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate
CID 168696387
1-(5-bromo-3-formyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691547
1-(2-bromo-5-chloro-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168698278

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-cyano-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(5-bromo-3-cyano-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide (CID 168697511) is 1-(5-bromo-3-cyano-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(5-bromo-3-cyano-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(5-bromo-3-cyano-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide is N#Cc1cc(Br)cnc1N1CC(C(N)=O)CC1=O.
What is the InChIKey of 1-(5-bromo-3-cyano-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NGDFIOJCOBORRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4O2/c12-8-1-6(3-13)11(15-4-8)16-5-7(10(14)18)2-9(16)17/h1,4,7H,2,5H2,(H2,14,18).
What are the key properties of 1-(5-bromo-3-cyano-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
1-(5-bromo-3-cyano-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 309.12 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-cyano-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168697511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).