5-bromo-N-[(S)-cyclopentyl(pyridin-2-yl)methyl]furan-2-carboxamide

C16H17BrN2O2 — CID 95782721

IUPAC5-bromo-N-[(S)-cyclopentyl(pyridin-2-yl)methyl]furan-2-carboxamide
SMILESO=C(N[C@H](c1ccccn1)C1CCCC1)c1ccc(Br)o1
InChIInChI=1S/C16H17BrN2O2/c17-14-9-8-13(21-14)16(20)19-15(11-5-1-2-6-11)12-7-3-4-10-18-12/h3-4,7-11,15H,1-2,5-6H2,(H,19,20)/t15-/m0/s1
InChIKeyUBORIIIYXWULCE-HNNXBMFYSA-N
MW349.23 g/mol
LogP4.10
Rot. Bonds4

About 5-bromo-N-[(S)-cyclopentyl(pyridin-2-yl)methyl]furan-2-carboxamide

5-bromo-N-[(S)-cyclopentyl(pyridin-2-yl)methyl]furan-2-carboxamide (PubChem CID 95782721) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 5-bromo-N-[(S)-cyclopentyl(pyridin-2-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(S)-cyclopentyl(pyridin-2-yl)methyl]furan-2-carboxamide
PubChem CID95782721
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name5-bromo-N-[(S)-cyclopentyl(pyridin-2-yl)methyl]furan-2-carboxamide
SMILESO=C(N[C@H](c1ccccn1)C1CCCC1)c1ccc(Br)o1
InChIInChI=1S/C16H17BrN2O2/c17-14-9-8-13(21-14)16(20)19-15(11-5-1-2-6-11)12-7-3-4-10-18-12/h3-4,7-11,15H,1-2,5-6H2,(H,19,20)/t15-/m0/s1
InChIKeyUBORIIIYXWULCE-HNNXBMFYSA-N
XLogP4.10
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(1-cyclohexylethyl)furan-2-carboxamide
CID 55069127
N-(2-amino-1-cyclopentylethyl)-5-bromofuran-2-carboxamide
CID 106737570
5-bromo-N-cyclododecylfuran-2-carboxamide
CID 2072742
2-cyclopropyloxy-N-[cyclopropyl(pyridin-2-yl)methyl]benzamide
CID 138051363
5-bromo-N-(1-cyclopropylethyl)furan-2-carboxamide
CID 60668708
N-[(R)-cyclopentyl(pyridin-2-yl)methyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 95899171
1-N-[cyclopentyl(pyridin-2-yl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 84589898
N-[cyclopentyl(pyridin-2-yl)methyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 71987070
5-bromo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 108551769
5-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]furan-2-carboxamide
CID 99697078
N-[(R)-cyclohexyl(pyridin-2-yl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 137423496
1-[(5-bromofuran-2-carbonyl)amino]-3-cyclohexylurea
CID 4678581

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(S)-cyclopentyl(pyridin-2-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(S)-cyclopentyl(pyridin-2-yl)methyl]furan-2-carboxamide (CID 95782721) is 5-bromo-N-[(S)-cyclopentyl(pyridin-2-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(S)-cyclopentyl(pyridin-2-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(S)-cyclopentyl(pyridin-2-yl)methyl]furan-2-carboxamide is O=C(N[C@H](c1ccccn1)C1CCCC1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[(S)-cyclopentyl(pyridin-2-yl)methyl]furan-2-carboxamide?
The InChIKey is UBORIIIYXWULCE-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c17-14-9-8-13(21-14)16(20)19-15(11-5-1-2-6-11)12-7-3-4-10-18-12/h3-4,7-11,15H,1-2,5-6H2,(H,19,20)/t15-/m0/s1.
What are the key properties of 5-bromo-N-[(S)-cyclopentyl(pyridin-2-yl)methyl]furan-2-carboxamide?
5-bromo-N-[(S)-cyclopentyl(pyridin-2-yl)methyl]furan-2-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(S)-cyclopentyl(pyridin-2-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 95782721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).