5-bromo-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylic acid

C11H10BrN3O4 — CID 168698074

IUPAC5-bromo-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylic acid
SMILESNC(=O)C1CC(=O)N(c2cc(C(=O)O)c(Br)cn2)C1
InChIInChI=1S/C11H10BrN3O4/c12-7-3-14-8(2-6(7)11(18)19)15-4-5(10(13)17)1-9(15)16/h2-3,5H,1,4H2,(H2,13,17)(H,18,19)
InChIKeyWNQXMSJYWLRBKM-UHFFFAOYSA-N
MW328.12 g/mol
LogP0.38
Rot. Bonds3

About 5-bromo-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylic acid

5-bromo-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylic acid (PubChem CID 168698074) has the molecular formula C11H10BrN3O4 and a molecular weight of 328.12 g/mol. Its IUPAC name is 5-bromo-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylic acid
PubChem CID168698074
Molecular FormulaC11H10BrN3O4
Molecular Weight328.12 g/mol
Exact Mass326.99
IUPAC Name5-bromo-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylic acid
SMILESNC(=O)C1CC(=O)N(c2cc(C(=O)O)c(Br)cn2)C1
InChIInChI=1S/C11H10BrN3O4/c12-7-3-14-8(2-6(7)11(18)19)15-4-5(10(13)17)1-9(15)16/h2-3,5H,1,4H2,(H2,13,17)(H,18,19)
InChIKeyWNQXMSJYWLRBKM-UHFFFAOYSA-N
XLogP0.38
TPSA113.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.12
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 168505824
5-bromo-2-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 168671826
1-(6-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698237
1-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168697887
5-oxo-1-pyrazin-2-ylpyrrolidine-3-carboxamide
CID 168698605
1-(5-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698124
1-(3-amino-5-bromopyrazin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698071
[6-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-pyridinyl]boronic acid
CID 168698570
1-(5-bromo-3-fluoro-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168697582
1-(5-bromo-4,6-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168696971
1-(2-bromo-5-chloro-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168698278
1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-carboxamide
CID 168698103

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylic acid?
The IUPAC name of 5-bromo-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylic acid (CID 168698074) is 5-bromo-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 5-bromo-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 5-bromo-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylic acid is NC(=O)C1CC(=O)N(c2cc(C(=O)O)c(Br)cn2)C1.
What is the InChIKey of 5-bromo-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylic acid?
The InChIKey is WNQXMSJYWLRBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O4/c12-7-3-14-8(2-6(7)11(18)19)15-4-5(10(13)17)1-9(15)16/h2-3,5H,1,4H2,(H2,13,17)(H,18,19).
What are the key properties of 5-bromo-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylic acid?
5-bromo-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylic acid has a molecular weight of 328.12 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 168698074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).