5-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide

C15H15BrN4O4 — CID 108551744

IUPAC5-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccc(=O)[nH]n2)CC1)c1ccc(Br)o1
InChIInChI=1S/C15H15BrN4O4/c16-12-3-2-11(24-12)14(22)17-9-5-7-20(8-6-9)15(23)10-1-4-13(21)19-18-10/h1-4,9H,5-8H2,(H,17,22)(H,19,21)
InChIKeyNHJIKIFFQSDPPE-UHFFFAOYSA-N
MW395.21 g/mol
LogP1.16
Rot. Bonds3

About 5-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide

5-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide (PubChem CID 108551744) has the molecular formula C15H15BrN4O4 and a molecular weight of 395.21 g/mol. Its IUPAC name is 5-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
PubChem CID108551744
Molecular FormulaC15H15BrN4O4
Molecular Weight395.21 g/mol
Exact Mass394.03
IUPAC Name5-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccc(=O)[nH]n2)CC1)c1ccc(Br)o1
InChIInChI=1S/C15H15BrN4O4/c16-12-3-2-11(24-12)14(22)17-9-5-7-20(8-6-9)15(23)10-1-4-13(21)19-18-10/h1-4,9H,5-8H2,(H,17,22)(H,19,21)
InChIKeyNHJIKIFFQSDPPE-UHFFFAOYSA-N
XLogP1.16
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.21
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide
CID 108550523
5-bromo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 108551769
4-fluoro-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide
CID 32506646
4-[(5-bromofuran-2-carbonyl)amino]-N,N-dimethylpiperidine-1-carboxamide
CID 108560310
5-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 38198333
N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110820443
5-bromo-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]furan-2-carboxamide
CID 108551736
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108555061
N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenoxyacetamide
CID 108555834
[3-[[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108548550
5-bromo-N-(1-cyclopropylpiperidin-4-yl)furan-2-carboxamide
CID 60730594
N-[1-(2-chloropropanoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108561735

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide (CID 108551744) is 5-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide is O=C(NC1CCN(C(=O)c2ccc(=O)[nH]n2)CC1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide?
The InChIKey is NHJIKIFFQSDPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O4/c16-12-3-2-11(24-12)14(22)17-9-5-7-20(8-6-9)15(23)10-1-4-13(21)19-18-10/h1-4,9H,5-8H2,(H,17,22)(H,19,21).
What are the key properties of 5-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide?
5-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide has a molecular weight of 395.21 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 108551744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).