4-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide

C17H17BrN4O3 — CID 108550523

IUPAC4-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)c2ccc(=O)[nH]n2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C17H17BrN4O3/c18-12-3-1-11(2-4-12)16(24)19-13-7-9-22(10-8-13)17(25)14-5-6-15(23)21-20-14/h1-6,13H,7-10H2,(H,19,24)(H,21,23)
InChIKeyNZPQKAOOKRFVFG-UHFFFAOYSA-N
MW405.25 g/mol
LogP1.57
Rot. Bonds3

About 4-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide

4-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide (PubChem CID 108550523) has the molecular formula C17H17BrN4O3 and a molecular weight of 405.25 g/mol. Its IUPAC name is 4-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide
PubChem CID108550523
Molecular FormulaC17H17BrN4O3
Molecular Weight405.25 g/mol
Exact Mass404.05
IUPAC Name4-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)c2ccc(=O)[nH]n2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C17H17BrN4O3/c18-12-3-1-11(2-4-12)16(24)19-13-7-9-22(10-8-13)17(25)14-5-6-15(23)21-20-14/h1-6,13H,7-10H2,(H,19,24)(H,21,23)
InChIKeyNZPQKAOOKRFVFG-UHFFFAOYSA-N
XLogP1.57
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.25
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide
CID 32506646
5-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 108551744
N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110820443
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108555061
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108554976
[3-[[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108548550
N-[1-(2-chloropropanoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108561735
4-bromo-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542222
4-bromo-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]benzamide
CID 108550518
N-[1-(2-cyanoacetyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108554971
N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]-2-phenoxyacetamide
CID 108555834
4-bromo-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide
CID 108550521

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide?
The IUPAC name of 4-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide (CID 108550523) is 4-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide is O=C(NC1CCN(C(=O)c2ccc(=O)[nH]n2)CC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide?
The InChIKey is NZPQKAOOKRFVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4O3/c18-12-3-1-11(2-4-12)16(24)19-13-7-9-22(10-8-13)17(25)14-5-6-15(23)21-20-14/h1-6,13H,7-10H2,(H,19,24)(H,21,23).
What are the key properties of 4-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide?
4-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide has a molecular weight of 405.25 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 108550523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).