1-(4-fluorophenyl)-N-[2-(methylamino)propyl]-6-oxopyridazine-3-carboxamide;hydrochloride

C15H18ClFN4O2 — CID 120832876

IUPAC1-(4-fluorophenyl)-N-[2-(methylamino)propyl]-6-oxopyridazine-3-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1.Cl
InChIInChI=1S/C15H17FN4O2.ClH/c1-10(17-2)9-18-15(22)13-7-8-14(21)20(19-13)12-5-3-11(16)4-6-12;/h3-8,10,17H,9H2,1-2H3,(H,18,22);1H
InChIKeyZHMIQCMYKBTLMC-UHFFFAOYSA-N
MW340.79 g/mol
LogP1.13
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[2-(methylamino)propyl]-6-oxopyridazine-3-carboxamide;hydrochloride

1-(4-fluorophenyl)-N-[2-(methylamino)propyl]-6-oxopyridazine-3-carboxamide;hydrochloride (PubChem CID 120832876) has the molecular formula C15H18ClFN4O2 and a molecular weight of 340.79 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-(methylamino)propyl]-6-oxopyridazine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-(methylamino)propyl]-6-oxopyridazine-3-carboxamide;hydrochloride
PubChem CID120832876
Molecular FormulaC15H18ClFN4O2
Molecular Weight340.79 g/mol
Exact Mass340.11
IUPAC Name1-(4-fluorophenyl)-N-[2-(methylamino)propyl]-6-oxopyridazine-3-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1.Cl
InChIInChI=1S/C15H17FN4O2.ClH/c1-10(17-2)9-18-15(22)13-7-8-14(21)20(19-13)12-5-3-11(16)4-6-12;/h3-8,10,17H,9H2,1-2H3,(H,18,22);1H
InChIKeyZHMIQCMYKBTLMC-UHFFFAOYSA-N
XLogP1.13
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.79
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55950631
N-[2-(ethylamino)ethyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide;hydrochloride
CID 119505450
N-[(2R)-2-(ethylamino)propyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 120653747
N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55632249
(2S,3S)-2-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]-3-methylpentanoic acid
CID 119194132
N-(2-amino-1-cyclopropylethyl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide;hydrochloride
CID 119613631
N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55632306
1-(4-fluorophenyl)-6-oxo-N-(2-pyridin-3-ylethyl)pyridazine-3-carboxamide
CID 86979076
1-(4-fluorophenyl)-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridazine-3-carboxamide
CID 55630701
2-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 119193091
N-[2-(4-chlorophenyl)sulfanylethyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55633633
1-(4-fluorophenyl)-6-oxo-N-[(4-phenoxyphenyl)methyl]pyridazine-3-carboxamide
CID 60622520

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-(methylamino)propyl]-6-oxopyridazine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-(methylamino)propyl]-6-oxopyridazine-3-carboxamide;hydrochloride (CID 120832876) is 1-(4-fluorophenyl)-N-[2-(methylamino)propyl]-6-oxopyridazine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-(methylamino)propyl]-6-oxopyridazine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-(methylamino)propyl]-6-oxopyridazine-3-carboxamide;hydrochloride is CNC(C)CNC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1.Cl.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-(methylamino)propyl]-6-oxopyridazine-3-carboxamide;hydrochloride?
The InChIKey is ZHMIQCMYKBTLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2.ClH/c1-10(17-2)9-18-15(22)13-7-8-14(21)20(19-13)12-5-3-11(16)4-6-12;/h3-8,10,17H,9H2,1-2H3,(H,18,22);1H.
What are the key properties of 1-(4-fluorophenyl)-N-[2-(methylamino)propyl]-6-oxopyridazine-3-carboxamide;hydrochloride?
1-(4-fluorophenyl)-N-[2-(methylamino)propyl]-6-oxopyridazine-3-carboxamide;hydrochloride has a molecular weight of 340.79 g/mol, XLogP of 1.13, 5 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-(methylamino)propyl]-6-oxopyridazine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120832876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).