5-bromo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]furan-2-carboxamide

C16H16BrN3O3 — CID 108551769

IUPAC5-bromo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]furan-2-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccccn2)CC1)c1ccc(Br)o1
InChIInChI=1S/C16H16BrN3O3/c17-14-5-4-13(23-14)15(21)19-11-6-9-20(10-7-11)16(22)12-3-1-2-8-18-12/h1-5,8,11H,6-7,9-10H2,(H,19,21)
InChIKeyWABCCKLPUMSNRB-UHFFFAOYSA-N
MW378.23 g/mol
LogP2.47
Rot. Bonds3

About 5-bromo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]furan-2-carboxamide

5-bromo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]furan-2-carboxamide (PubChem CID 108551769) has the molecular formula C16H16BrN3O3 and a molecular weight of 378.23 g/mol. Its IUPAC name is 5-bromo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]furan-2-carboxamide
PubChem CID108551769
Molecular FormulaC16H16BrN3O3
Molecular Weight378.23 g/mol
Exact Mass377.04
IUPAC Name5-bromo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]furan-2-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccccn2)CC1)c1ccc(Br)o1
InChIInChI=1S/C16H16BrN3O3/c17-14-5-4-13(23-14)15(21)19-11-6-9-20(10-7-11)16(22)12-3-1-2-8-18-12/h1-5,8,11H,6-7,9-10H2,(H,19,21)
InChIKeyWABCCKLPUMSNRB-UHFFFAOYSA-N
XLogP2.47
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.23
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 108551744
5-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]furan-2-carboxamide
CID 99697078
5-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]furan-2-carboxamide
CID 108551717
N-[1-(2-bromobenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 108557809
5-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 38198333
2-fluoro-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821143
5-bromo-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]furan-2-carboxamide
CID 108551736
4-[(5-bromofuran-2-carbonyl)amino]-N,N-dimethylpiperidine-1-carboxamide
CID 108560310
5-bromo-N-cyclododecylfuran-2-carboxamide
CID 2072742
N-[2-oxo-2-[[1-(pyridine-2-carbonyl)piperidin-4-yl]amino]ethyl]benzamide
CID 108550474
5-bromo-N-(1-cyclopropylpiperidin-4-yl)furan-2-carboxamide
CID 60730594
3-methoxy-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide
CID 47029925

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]furan-2-carboxamide (CID 108551769) is 5-bromo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]furan-2-carboxamide is O=C(NC1CCN(C(=O)c2ccccn2)CC1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]furan-2-carboxamide?
The InChIKey is WABCCKLPUMSNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O3/c17-14-5-4-13(23-14)15(21)19-11-6-9-20(10-7-11)16(22)12-3-1-2-8-18-12/h1-5,8,11H,6-7,9-10H2,(H,19,21).
What are the key properties of 5-bromo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]furan-2-carboxamide?
5-bromo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]furan-2-carboxamide has a molecular weight of 378.23 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 108551769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).