N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride

C11H15BrClN3O2 — CID 119344897

IUPACN-(5-bromo-1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.Cn1cc(NC(=O)C2CCCN2)cc(Br)c1=O
InChIInChI=1S/C11H14BrN3O2.ClH/c1-15-6-7(5-8(12)11(15)17)14-10(16)9-3-2-4-13-9;/h5-6,9,13H,2-4H2,1H3,(H,14,16);1H
InChIKeyGTSZSCSOYAGRAW-UHFFFAOYSA-N
MW336.62 g/mol
LogP1.26
Rot. Bonds2

About N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride

N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119344897) has the molecular formula C11H15BrClN3O2 and a molecular weight of 336.62 g/mol. Its IUPAC name is N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(5-bromo-1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119344897
Molecular FormulaC11H15BrClN3O2
Molecular Weight336.62 g/mol
Exact Mass335.00
IUPAC NameN-(5-bromo-1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.Cn1cc(NC(=O)C2CCCN2)cc(Br)c1=O
InChIInChI=1S/C11H14BrN3O2.ClH/c1-15-6-7(5-8(12)11(15)17)14-10(16)9-3-2-4-13-9;/h5-6,9,13H,2-4H2,1H3,(H,14,16);1H
InChIKeyGTSZSCSOYAGRAW-UHFFFAOYSA-N
XLogP1.26
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.62
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)morpholine-3-carboxamide;hydrochloride
CID 119820984
1-methyl-4-(pyrrolidine-2-carbonylamino)pyrrole-2-carboxamide
CID 119290226
(2S)-N-(1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide
CID 61178864
(2S)-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 67505940
(2S)-N-(1-methyl-2-oxo-4-pyridinyl)pyrrolidine-2-carboxamide
CID 164573536
(2R)-N-(4-bromo-3,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 107574285
2-bromo-4-(pyrrolidine-2-carbonylamino)benzoic acid
CID 123473480
N-(3-bromo-4-fluorophenyl)piperidine-2-carboxamide
CID 115733745
(2S)-N-(5-methyl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119884720
(2S)-N-(1-ethylpyrazol-4-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119292192
(2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide
CID 22691460
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride (CID 119344897) is N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride is Cl.Cn1cc(NC(=O)C2CCCN2)cc(Br)c1=O.
What is the InChIKey of N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is GTSZSCSOYAGRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2.ClH/c1-15-6-7(5-8(12)11(15)17)14-10(16)9-3-2-4-13-9;/h5-6,9,13H,2-4H2,1H3,(H,14,16);1H.
What are the key properties of N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride?
N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 336.62 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119344897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).