1-(2-bromopyridine-3-carbonyl)pyrrolidine-3-carboxamide

C11H12BrN3O2 — CID 103755201

IUPAC1-(2-bromopyridine-3-carbonyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cccnc2Br)C1
InChIInChI=1S/C11H12BrN3O2/c12-9-8(2-1-4-14-9)11(17)15-5-3-7(6-15)10(13)16/h1-2,4,7H,3,5-6H2,(H2,13,16)
InChIKeyGVBYYFMQKJSYRH-UHFFFAOYSA-N
MW298.14 g/mol
LogP0.79
Rot. Bonds2

About 1-(2-bromopyridine-3-carbonyl)pyrrolidine-3-carboxamide

1-(2-bromopyridine-3-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 103755201) has the molecular formula C11H12BrN3O2 and a molecular weight of 298.14 g/mol. Its IUPAC name is 1-(2-bromopyridine-3-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-bromopyridine-3-carbonyl)pyrrolidine-3-carboxamide
PubChem CID103755201
Molecular FormulaC11H12BrN3O2
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name1-(2-bromopyridine-3-carbonyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cccnc2Br)C1
InChIInChI=1S/C11H12BrN3O2/c12-9-8(2-1-4-14-9)11(17)15-5-3-7(6-15)10(13)16/h1-2,4,7H,3,5-6H2,(H2,13,16)
InChIKeyGVBYYFMQKJSYRH-UHFFFAOYSA-N
XLogP0.79
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 50.79
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

1-(2-bromopyridine-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 103754069
1-(2,5-dibromobenzoyl)pyrrolidine-3-carboxamide
CID 104919326
1-(2-bromobenzoyl)piperidine-3-carboxamide
CID 24692766
(2-bromo-3-pyridinyl)-(2-methylazepan-1-yl)methanone
CID 103755413
1-[2-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperidine-4-carboxamide
CID 84576181
(2-bromo-3-pyridinyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103752797
(2-bromo-3-pyridinyl)-(4-propylazepan-1-yl)methanone
CID 103752661
N-[1-(2-bromopyridine-3-carbonyl)piperidin-4-yl]propanamide
CID 103754574
1-(3-bromopyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 107517086
1-(2-amino-5-methylbenzoyl)pyrrolidine-3-carboxamide
CID 114081662
methyl 1-(2-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylate
CID 78950884
(2-bromo-3-pyridinyl)-(2-ethylazepan-1-yl)methanone
CID 103755522

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromopyridine-3-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-bromopyridine-3-carbonyl)pyrrolidine-3-carboxamide (CID 103755201) is 1-(2-bromopyridine-3-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-bromopyridine-3-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-bromopyridine-3-carbonyl)pyrrolidine-3-carboxamide is NC(=O)C1CCN(C(=O)c2cccnc2Br)C1.
What is the InChIKey of 1-(2-bromopyridine-3-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is GVBYYFMQKJSYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2/c12-9-8(2-1-4-14-9)11(17)15-5-3-7(6-15)10(13)16/h1-2,4,7H,3,5-6H2,(H2,13,16).
What are the key properties of 1-(2-bromopyridine-3-carbonyl)pyrrolidine-3-carboxamide?
1-(2-bromopyridine-3-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 298.14 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromopyridine-3-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 103755201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).