1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]-N-(3-methoxyphenyl)piperidine-3-carboxamide

C23H23FN4O3 — CID 53071059

IUPAC1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]-N-(3-methoxyphenyl)piperidine-3-carboxamide
SMILESCOc1cccc(NC(=O)C2CCCN(c3ccc(=O)n(-c4ccc(F)cc4)n3)C2)c1
InChIInChI=1S/C23H23FN4O3/c1-31-20-6-2-5-18(14-20)25-23(30)16-4-3-13-27(15-16)21-11-12-22(29)28(26-21)19-9-7-17(24)8-10-19/h2,5-12,14,16H,3-4,13,15H2,1H3,(H,25,30)
InChIKeyKJPXQSZERMKVSF-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.24
Rot. Bonds5

About 1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]-N-(3-methoxyphenyl)piperidine-3-carboxamide

1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]-N-(3-methoxyphenyl)piperidine-3-carboxamide (PubChem CID 53071059) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]-N-(3-methoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]-N-(3-methoxyphenyl)piperidine-3-carboxamide
PubChem CID53071059
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC Name1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]-N-(3-methoxyphenyl)piperidine-3-carboxamide
SMILESCOc1cccc(NC(=O)C2CCCN(c3ccc(=O)n(-c4ccc(F)cc4)n3)C2)c1
InChIInChI=1S/C23H23FN4O3/c1-31-20-6-2-5-18(14-20)25-23(30)16-4-3-13-27(15-16)21-11-12-22(29)28(26-21)19-9-7-17(24)8-10-19/h2,5-12,14,16H,3-4,13,15H2,1H3,(H,25,30)
InChIKeyKJPXQSZERMKVSF-UHFFFAOYSA-N
XLogP3.24
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-(3,4-dimethylphenyl)-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide
CID 95069342
(3S)-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 95069239
N-[(2,5-dimethoxyphenyl)methyl]-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide
CID 53071111
N-(2,3-dimethylphenyl)-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide
CID 53071068
(3S)-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]-N-(2-methylphenyl)piperidine-3-carboxamide
CID 95069324
(3R)-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 95069347
1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-(3,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 53071196
N-(3-methoxyphenyl)-4-(6-oxo-3-pyrrolidin-1-ylpyridazin-1-yl)benzamide
CID 50832171
N-(2-chloro-4-fluorophenyl)-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide
CID 53071102
1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 53071190
N-(3-methoxyphenyl)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 42653282
N-(4-bromo-3-methylphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide
CID 53071152

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]-N-(3-methoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]-N-(3-methoxyphenyl)piperidine-3-carboxamide (CID 53071059) is 1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]-N-(3-methoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]-N-(3-methoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]-N-(3-methoxyphenyl)piperidine-3-carboxamide is COc1cccc(NC(=O)C2CCCN(c3ccc(=O)n(-c4ccc(F)cc4)n3)C2)c1.
What is the InChIKey of 1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]-N-(3-methoxyphenyl)piperidine-3-carboxamide?
The InChIKey is KJPXQSZERMKVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3/c1-31-20-6-2-5-18(14-20)25-23(30)16-4-3-13-27(15-16)21-11-12-22(29)28(26-21)19-9-7-17(24)8-10-19/h2,5-12,14,16H,3-4,13,15H2,1H3,(H,25,30).
What are the key properties of 1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]-N-(3-methoxyphenyl)piperidine-3-carboxamide?
1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]-N-(3-methoxyphenyl)piperidine-3-carboxamide has a molecular weight of 422.46 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]-N-(3-methoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 53071059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).