N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide

C17H17FN4O3 — CID 110820443

IUPACN-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(=O)[nH]n1
InChIInChI=1S/C17H17FN4O3/c18-12-3-1-11(2-4-12)17(25)22-9-7-13(8-10-22)19-16(24)14-5-6-15(23)21-20-14/h1-6,13H,7-10H2,(H,19,24)(H,21,23)
InChIKeyCAYMBSSUOZOIMF-UHFFFAOYSA-N
MW344.35 g/mol
LogP0.94
Rot. Bonds3

About N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide

N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 110820443) has the molecular formula C17H17FN4O3 and a molecular weight of 344.35 g/mol. Its IUPAC name is N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID110820443
Molecular FormulaC17H17FN4O3
Molecular Weight344.35 g/mol
Exact Mass344.13
IUPAC NameN-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(=O)[nH]n1
InChIInChI=1S/C17H17FN4O3/c18-12-3-1-11(2-4-12)17(25)22-9-7-13(8-10-22)19-16(24)14-5-6-15(23)21-20-14/h1-6,13H,7-10H2,(H,19,24)(H,21,23)
InChIKeyCAYMBSSUOZOIMF-UHFFFAOYSA-N
XLogP0.94
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 50.94
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
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108554976
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108555061
4-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide
CID 108550523
N-[1-(2-cyanoacetyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108554971
N-[1-(2-chloropropanoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108561735
6-oxo-N-(1-phenylpiperidin-4-yl)-1H-pyridazine-3-carboxamide
CID 110745882
5-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-N-piperidin-4-ylpyridine-2-carboxamide
CID 144819110
5-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 108551744
N-(1,1-dioxothian-4-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 113223754
N-cyclopent-3-en-1-yl-6-oxo-1H-pyridazine-3-carboxamide
CID 103762323
6-oxo-N-(1-propylsulfonylpiperidin-4-yl)-1H-pyridazine-3-carboxamide
CID 46456038

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide (CID 110820443) is N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide is O=C(NC1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is CAYMBSSUOZOIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3/c18-12-3-1-11(2-4-12)17(25)22-9-7-13(8-10-22)19-16(24)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 N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 344.35 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110820443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).