5-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]furan-2-carboxamide

C14H14BrN3O2 — CID 99697078

IUPAC5-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]furan-2-carboxamide
SMILESO=C(N[C@@H]1CCN(c2ccccn2)C1)c1ccc(Br)o1
InChIInChI=1S/C14H14BrN3O2/c15-12-5-4-11(20-12)14(19)17-10-6-8-18(9-10)13-3-1-2-7-16-13/h1-5,7,10H,6,8-9H2,(H,17,19)/t10-/m1/s1
InChIKeyJIZJQVIRTNEQON-SNVBAGLBSA-N
MW336.19 g/mol
LogP2.45
Rot. Bonds3

About 5-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]furan-2-carboxamide

5-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]furan-2-carboxamide (PubChem CID 99697078) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 5-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]furan-2-carboxamide
PubChem CID99697078
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name5-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]furan-2-carboxamide
SMILESO=C(N[C@@H]1CCN(c2ccccn2)C1)c1ccc(Br)o1
InChIInChI=1S/C14H14BrN3O2/c15-12-5-4-11(20-12)14(19)17-10-6-8-18(9-10)13-3-1-2-7-16-13/h1-5,7,10H,6,8-9H2,(H,17,19)/t10-/m1/s1
InChIKeyJIZJQVIRTNEQON-SNVBAGLBSA-N
XLogP2.45
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99696788
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697085
5-bromo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 108551769
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]furan-3-carboxamide
CID 99697234
7-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 99715119
5-bromo-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]furan-2-carboxamide
CID 91888124
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
1-(2-phenylethyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 90621427
2-(4-acetamidophenyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide
CID 99696681
3-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697550

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]furan-2-carboxamide (CID 99697078) is 5-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]furan-2-carboxamide is O=C(N[C@@H]1CCN(c2ccccn2)C1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]furan-2-carboxamide?
The InChIKey is JIZJQVIRTNEQON-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c15-12-5-4-11(20-12)14(19)17-10-6-8-18(9-10)13-3-1-2-7-16-13/h1-5,7,10H,6,8-9H2,(H,17,19)/t10-/m1/s1.
What are the key properties of 5-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]furan-2-carboxamide?
5-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]furan-2-carboxamide has a molecular weight of 336.19 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 99697078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).