N-(3-fluoro-4-methylphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide

C24H25FN4O — CID 30363862

IUPACN-(3-fluoro-4-methylphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3ccc(-c4ccccc4C)nn3)CC2)cc1F
InChIInChI=1S/C24H25FN4O/c1-16-5-3-4-6-20(16)22-9-10-23(28-27-22)29-13-11-18(12-14-29)24(30)26-19-8-7-17(2)21(25)15-19/h3-10,15,18H,11-14H2,1-2H3,(H,26,30)
InChIKeyNSEPMYAYYZDDNM-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.75
Rot. Bonds4

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

N-(3-fluoro-4-methylphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 30363862) has the molecular formula C24H25FN4O and a molecular weight of 404.49 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID30363862
Molecular FormulaC24H25FN4O
Molecular Weight404.49 g/mol
Exact Mass404.20
IUPAC NameN-(3-fluoro-4-methylphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3ccc(-c4ccccc4C)nn3)CC2)cc1F
InChIInChI=1S/C24H25FN4O/c1-16-5-3-4-6-20(16)22-9-10-23(28-27-22)29-13-11-18(12-14-29)24(30)26-19-8-7-17(2)21(25)15-19/h3-10,15,18H,11-14H2,1-2H3,(H,26,30)
InChIKeyNSEPMYAYYZDDNM-UHFFFAOYSA-N
XLogP4.75
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363714
N-(2,5-difluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363998
N-(4-butylphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363843
N-(5-methyl-1,2-oxazol-3-yl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 121071798
N-[2-(4-fluorophenyl)ethyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 121071849
N-[(4-fluorophenyl)methyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363820
N-(3,4-dimethoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363123
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363210
methyl 2-[[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carbonyl]amino]benzoate
CID 30363740
N-cyclohexyl-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363619
1-[6-(2-methylphenyl)pyridazin-3-yl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 30363605
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 121071826

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide (CID 30363862) is N-(3-fluoro-4-methylphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(c3ccc(-c4ccccc4C)nn3)CC2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is NSEPMYAYYZDDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O/c1-16-5-3-4-6-20(16)22-9-10-23(28-27-22)29-13-11-18(12-14-29)24(30)26-19-8-7-17(2)21(25)15-19/h3-10,15,18H,11-14H2,1-2H3,(H,26,30).
What are the key properties of N-(3-fluoro-4-methylphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
N-(3-fluoro-4-methylphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 30363862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).