N-(3,5-dimethoxyphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide

C24H25FN4O4 — CID 53070617

IUPACN-(3,5-dimethoxyphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
SMILESCOc1cc(NC(=O)C2CCN(c3ccc(=O)n(-c4cccc(F)c4)n3)CC2)cc(OC)c1
InChIInChI=1S/C24H25FN4O4/c1-32-20-13-18(14-21(15-20)33-2)26-24(31)16-8-10-28(11-9-16)22-6-7-23(30)29(27-22)19-5-3-4-17(25)12-19/h3-7,12-16H,8-11H2,1-2H3,(H,26,31)
InChIKeyFMFRNOGOXGLSHE-UHFFFAOYSA-N
MW452.49 g/mol
LogP3.24
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide

N-(3,5-dimethoxyphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 53070617) has the molecular formula C24H25FN4O4 and a molecular weight of 452.49 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
PubChem CID53070617
Molecular FormulaC24H25FN4O4
Molecular Weight452.49 g/mol
Exact Mass452.19
IUPAC NameN-(3,5-dimethoxyphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
SMILESCOc1cc(NC(=O)C2CCN(c3ccc(=O)n(-c4cccc(F)c4)n3)CC2)cc(OC)c1
InChIInChI=1S/C24H25FN4O4/c1-32-20-13-18(14-21(15-20)33-2)26-24(31)16-8-10-28(11-9-16)22-6-7-23(30)29(27-22)19-5-3-4-17(25)12-19/h3-7,12-16H,8-11H2,1-2H3,(H,26,31)
InChIKeyFMFRNOGOXGLSHE-UHFFFAOYSA-N
XLogP3.24
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-ethoxyphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070628
N-(2-chloro-4-fluorophenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070666
1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(2-methylphenyl)piperidine-4-carboxamide
CID 53070632
1-[1-(3-chlorophenyl)-6-oxopyridazin-3-yl]-N-(2,5-difluorophenyl)piperidine-4-carboxamide
CID 53070806
N-(3-ethylphenyl)-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070565
1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 53071059
1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 53070709
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070681
1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 53070624
1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-(3,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 53071196
1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]-N-methylpiperidine-4-carboxamide
CID 53070446
N-(4-chloro-2-methoxy-5-methylphenyl)-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070575

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide (CID 53070617) is N-(3,5-dimethoxyphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide is COc1cc(NC(=O)C2CCN(c3ccc(=O)n(-c4cccc(F)c4)n3)CC2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is FMFRNOGOXGLSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O4/c1-32-20-13-18(14-21(15-20)33-2)26-24(31)16-8-10-28(11-9-16)22-6-7-23(30)29(27-22)19-5-3-4-17(25)12-19/h3-7,12-16H,8-11H2,1-2H3,(H,26,31).
What are the key properties of N-(3,5-dimethoxyphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide?
N-(3,5-dimethoxyphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 452.49 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53070617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).