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

C10H10BrN3O2 — CID 168698437

IUPAC1-(2-bromo-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2cccnc2Br)C1
InChIInChI=1S/C10H10BrN3O2/c11-9-7(2-1-3-13-9)14-5-6(10(12)16)4-8(14)15/h1-3,6H,4-5H2,(H2,12,16)
InChIKeyNAVQMAFENADXEX-UHFFFAOYSA-N
MW284.11 g/mol
LogP0.68
Rot. Bonds2

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

1-(2-bromo-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 168698437) has the molecular formula C10H10BrN3O2 and a molecular weight of 284.11 g/mol. Its IUPAC name is 1-(2-bromo-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-bromo-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID168698437
Molecular FormulaC10H10BrN3O2
Molecular Weight284.11 g/mol
Exact Mass283.00
IUPAC Name1-(2-bromo-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2cccnc2Br)C1
InChIInChI=1S/C10H10BrN3O2/c11-9-7(2-1-3-13-9)14-5-6(10(12)16)4-8(14)15/h1-3,6H,4-5H2,(H2,12,16)
InChIKeyNAVQMAFENADXEX-UHFFFAOYSA-N
XLogP0.68
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 168698201
1-(2-bromo-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703965
methyl 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate
CID 168696475
1-(2-bromo-5-chloro-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168698278
1-(2-amino-3-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692273
(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42579807
1-(5-cyanoquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 168697996
1-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168697394
1-(2,3-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168698402
1-(2-cyclopropylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168698149
1-(2-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696654
1-(3-amino-5-bromopyrazin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698071

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-bromo-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide (CID 168698437) is 1-(2-bromo-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-bromo-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-bromo-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(c2cccnc2Br)C1.
What is the InChIKey of 1-(2-bromo-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NAVQMAFENADXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2/c11-9-7(2-1-3-13-9)14-5-6(10(12)16)4-8(14)15/h1-3,6H,4-5H2,(H2,12,16).
What are the key properties of 1-(2-bromo-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
1-(2-bromo-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 284.11 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168698437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).