2-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide

C16H16BrN3O — CID 99696788

IUPAC2-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
SMILESO=C(N[C@@H]1CCN(c2ccccn2)C1)c1ccccc1Br
InChIInChI=1S/C16H16BrN3O/c17-14-6-2-1-5-13(14)16(21)19-12-8-10-20(11-12)15-7-3-4-9-18-15/h1-7,9,12H,8,10-11H2,(H,19,21)/t12-/m1/s1
InChIKeyYMRBNUASMRPCGB-GFCCVEGCSA-N
MW346.23 g/mol
LogP2.85
Rot. Bonds3

About 2-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide

2-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide (PubChem CID 99696788) has the molecular formula C16H16BrN3O and a molecular weight of 346.23 g/mol. Its IUPAC name is 2-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
PubChem CID99696788
Molecular FormulaC16H16BrN3O
Molecular Weight346.23 g/mol
Exact Mass345.05
IUPAC Name2-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
SMILESO=C(N[C@@H]1CCN(c2ccccn2)C1)c1ccccc1Br
InChIInChI=1S/C16H16BrN3O/c17-14-6-2-1-5-13(14)16(21)19-12-8-10-20(11-12)15-7-3-4-9-18-15/h1-7,9,12H,8,10-11H2,(H,19,21)/t12-/m1/s1
InChIKeyYMRBNUASMRPCGB-GFCCVEGCSA-N
XLogP2.85
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697085
2-methylsulfanyl-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 99875589
5-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]furan-2-carboxamide
CID 99697078
N-(1-pyridin-2-ylpyrrolidin-3-yl)-1H-indole-3-carboxamide
CID 90621383
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]furan-3-carboxamide
CID 99697234
3,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzamide
CID 90621378
ethane;1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 91102074
2-oxo-N-(1-pyridin-2-ylpyrrolidin-3-yl)chromene-3-carboxamide
CID 90621231
3-bromo-N-(1-pyridin-2-ylpiperidin-4-yl)thiophene-2-carboxamide
CID 60779524
2-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide
CID 110871264
1-(2-phenylethyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 90621427
3-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697550

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide?
The IUPAC name of 2-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide (CID 99696788) is 2-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide?
The canonical SMILES for 2-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide is O=C(N[C@@H]1CCN(c2ccccn2)C1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide?
The InChIKey is YMRBNUASMRPCGB-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16BrN3O/c17-14-6-2-1-5-13(14)16(21)19-12-8-10-20(11-12)15-7-3-4-9-18-15/h1-7,9,12H,8,10-11H2,(H,19,21)/t12-/m1/s1.
What are the key properties of 2-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide?
2-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide has a molecular weight of 346.23 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide is sourced from PubChem (CID 99696788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).