N-(4-chloro-2-methoxy-5-methylphenyl)-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide

C24H24ClFN4O3 — CID 53070575

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C1CCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C24H24ClFN4O3/c1-15-13-20(21(33-2)14-19(15)25)27-24(32)16-9-11-29(12-10-16)22-7-8-23(31)30(28-22)18-5-3-17(26)4-6-18/h3-8,13-14,16H,9-12H2,1-2H3,(H,27,32)
InChIKeyLRYAFYSWCSIGOR-UHFFFAOYSA-N
MW470.93 g/mol
LogP4.20
Rot. Bonds5

About N-(4-chloro-2-methoxy-5-methylphenyl)-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 53070575) has the molecular formula C24H24ClFN4O3 and a molecular weight of 470.93 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
PubChem CID53070575
Molecular FormulaC24H24ClFN4O3
Molecular Weight470.93 g/mol
Exact Mass470.15
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C1CCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C24H24ClFN4O3/c1-15-13-20(21(33-2)14-19(15)25)27-24(32)16-9-11-29(12-10-16)22-7-8-23(31)30(28-22)18-5-3-17(26)4-6-18/h3-8,13-14,16H,9-12H2,1-2H3,(H,27,32)
InChIKeyLRYAFYSWCSIGOR-UHFFFAOYSA-N
XLogP4.20
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.93
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chloro-4-methylphenyl)-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070556
1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 53070709
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 35106489
N-(2-chloro-4-fluorophenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070666
1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
CID 53070705
1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-cyclopropylpiperidine-4-carboxamide
CID 53070721
1-[1-(3-chlorophenyl)-6-oxopyridazin-3-yl]-N-(2,5-difluorophenyl)piperidine-4-carboxamide
CID 53070806
1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(2-methylphenyl)piperidine-4-carboxamide
CID 53070632
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-(2,4-difluorophenyl)piperidine-3-carboxamide
CID 53071195
N-(3-ethylphenyl)-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070565
N-(3,5-dimethoxyphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070617

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide (CID 53070575) is N-(4-chloro-2-methoxy-5-methylphenyl)-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)C1CCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is LRYAFYSWCSIGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN4O3/c1-15-13-20(21(33-2)14-19(15)25)27-24(32)16-9-11-29(12-10-16)22-7-8-23(31)30(28-22)18-5-3-17(26)4-6-18/h3-8,13-14,16H,9-12H2,1-2H3,(H,27,32).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 470.93 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53070575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).