1-(4-fluorophenyl)-N-(2-methylpiperidin-4-yl)-6-oxopyridazine-3-carboxamide;hydrochloride

C17H20ClFN4O2 — CID 120597820

IUPAC1-(4-fluorophenyl)-N-(2-methylpiperidin-4-yl)-6-oxopyridazine-3-carboxamide;hydrochloride
SMILESCC1CC(NC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)CCN1.Cl
InChIInChI=1S/C17H19FN4O2.ClH/c1-11-10-13(8-9-19-11)20-17(24)15-6-7-16(23)22(21-15)14-4-2-12(18)3-5-14;/h2-7,11,13,19H,8-10H2,1H3,(H,20,24);1H
InChIKeyRWTJLMZSDZFKTM-UHFFFAOYSA-N
MW366.82 g/mol
LogP1.66
Rot. Bonds3

About 1-(4-fluorophenyl)-N-(2-methylpiperidin-4-yl)-6-oxopyridazine-3-carboxamide;hydrochloride

1-(4-fluorophenyl)-N-(2-methylpiperidin-4-yl)-6-oxopyridazine-3-carboxamide;hydrochloride (PubChem CID 120597820) has the molecular formula C17H20ClFN4O2 and a molecular weight of 366.82 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(2-methylpiperidin-4-yl)-6-oxopyridazine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(2-methylpiperidin-4-yl)-6-oxopyridazine-3-carboxamide;hydrochloride
PubChem CID120597820
Molecular FormulaC17H20ClFN4O2
Molecular Weight366.82 g/mol
Exact Mass366.13
IUPAC Name1-(4-fluorophenyl)-N-(2-methylpiperidin-4-yl)-6-oxopyridazine-3-carboxamide;hydrochloride
SMILESCC1CC(NC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)CCN1.Cl
InChIInChI=1S/C17H19FN4O2.ClH/c1-11-10-13(8-9-19-11)20-17(24)15-6-7-16(23)22(21-15)14-4-2-12(18)3-5-14;/h2-7,11,13,19H,8-10H2,1H3,(H,20,24);1H
InChIKeyRWTJLMZSDZFKTM-UHFFFAOYSA-N
XLogP1.66
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.82
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-6-oxopyridazine-3-carboxamide
CID 55634816
N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55631027
N-cyclopropyl-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31900847
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120599506
N-[2-(ethylamino)ethyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide;hydrochloride
CID 119505450
N-(2-amino-1-cyclopropylethyl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide;hydrochloride
CID 119613631
6-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]-2-(4-fluorophenyl)pyridazin-3-one
CID 124589320
N-(2-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 120600756
N-cyclooctyl-1-(4-fluorophenyl)-N-methyl-6-oxopyridazine-3-carboxamide
CID 47089546
1-(4-fluorophenyl)-N-[2-(methylamino)propyl]-6-oxopyridazine-3-carboxamide;hydrochloride
CID 120832876
1-(4-chlorophenyl)-N-(2-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride
CID 120598467
2-(4-methylphenyl)-N-(2-methylpiperidin-4-yl)-3-oxo-1H-pyrazole-5-carboxamide;hydrochloride
CID 120597824

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(2-methylpiperidin-4-yl)-6-oxopyridazine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)-N-(2-methylpiperidin-4-yl)-6-oxopyridazine-3-carboxamide;hydrochloride (CID 120597820) is 1-(4-fluorophenyl)-N-(2-methylpiperidin-4-yl)-6-oxopyridazine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(2-methylpiperidin-4-yl)-6-oxopyridazine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)-N-(2-methylpiperidin-4-yl)-6-oxopyridazine-3-carboxamide;hydrochloride is CC1CC(NC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)CCN1.Cl.
What is the InChIKey of 1-(4-fluorophenyl)-N-(2-methylpiperidin-4-yl)-6-oxopyridazine-3-carboxamide;hydrochloride?
The InChIKey is RWTJLMZSDZFKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2.ClH/c1-11-10-13(8-9-19-11)20-17(24)15-6-7-16(23)22(21-15)14-4-2-12(18)3-5-14;/h2-7,11,13,19H,8-10H2,1H3,(H,20,24);1H.
What are the key properties of 1-(4-fluorophenyl)-N-(2-methylpiperidin-4-yl)-6-oxopyridazine-3-carboxamide;hydrochloride?
1-(4-fluorophenyl)-N-(2-methylpiperidin-4-yl)-6-oxopyridazine-3-carboxamide;hydrochloride has a molecular weight of 366.82 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(2-methylpiperidin-4-yl)-6-oxopyridazine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120597820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).