1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(2-methylphenyl)piperidine-4-carboxamide

C23H23FN4O2 — CID 53070632

IUPAC1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(2-methylphenyl)piperidine-4-carboxamide
SMILESCc1ccccc1NC(=O)C1CCN(c2ccc(=O)n(-c3cccc(F)c3)n2)CC1
InChIInChI=1S/C23H23FN4O2/c1-16-5-2-3-8-20(16)25-23(30)17-11-13-27(14-12-17)21-9-10-22(29)28(26-21)19-7-4-6-18(24)15-19/h2-10,15,17H,11-14H2,1H3,(H,25,30)
InChIKeySERZOPYECPDPLQ-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.54
Rot. Bonds4

About 1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(2-methylphenyl)piperidine-4-carboxamide

1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(2-methylphenyl)piperidine-4-carboxamide (PubChem CID 53070632) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(2-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(2-methylphenyl)piperidine-4-carboxamide
PubChem CID53070632
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Name1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(2-methylphenyl)piperidine-4-carboxamide
SMILESCc1ccccc1NC(=O)C1CCN(c2ccc(=O)n(-c3cccc(F)c3)n2)CC1
InChIInChI=1S/C23H23FN4O2/c1-16-5-2-3-8-20(16)25-23(30)17-11-13-27(14-12-17)21-9-10-22(29)28(26-21)19-7-4-6-18(24)15-19/h2-10,15,17H,11-14H2,1H3,(H,25,30)
InChIKeySERZOPYECPDPLQ-UHFFFAOYSA-N
XLogP3.54
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-4-fluorophenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070666
(3S)-N-(2,3-dimethylphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide
CID 95069440
N-(3,5-dimethoxyphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070617
1-[1-(3-chlorophenyl)-6-oxopyridazin-3-yl]-N-(2,5-difluorophenyl)piperidine-4-carboxamide
CID 53070806
N-(4-ethoxyphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070628
N-(3-chloro-2-methylphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide
CID 53071139
(3S)-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]-N-(2-methylphenyl)piperidine-3-carboxamide
CID 95069324
1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
CID 53070705
(3S)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 95069478
1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide
CID 53071173
1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 53070709
1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 53070624

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(2-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(2-methylphenyl)piperidine-4-carboxamide (CID 53070632) is 1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(2-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(2-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(2-methylphenyl)piperidine-4-carboxamide is Cc1ccccc1NC(=O)C1CCN(c2ccc(=O)n(-c3cccc(F)c3)n2)CC1.
What is the InChIKey of 1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(2-methylphenyl)piperidine-4-carboxamide?
The InChIKey is SERZOPYECPDPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-16-5-2-3-8-20(16)25-23(30)17-11-13-27(14-12-17)21-9-10-22(29)28(26-21)19-7-4-6-18(24)15-19/h2-10,15,17H,11-14H2,1H3,(H,25,30).
What are the key properties of 1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(2-methylphenyl)piperidine-4-carboxamide?
1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(2-methylphenyl)piperidine-4-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(2-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 53070632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).