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

C25H27FN4O — CID 121071849

IUPACN-[2-(4-fluorophenyl)ethyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCc1ccccc1-c1ccc(N2CCC(C(=O)NCCc3ccc(F)cc3)CC2)nn1
InChIInChI=1S/C25H27FN4O/c1-18-4-2-3-5-22(18)23-10-11-24(29-28-23)30-16-13-20(14-17-30)25(31)27-15-12-19-6-8-21(26)9-7-19/h2-11,20H,12-17H2,1H3,(H,27,31)
InChIKeyKJUIDTOZVHKDSH-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.17
Rot. Bonds6

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

N-[2-(4-fluorophenyl)ethyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 121071849) has the molecular formula C25H27FN4O and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID121071849
Molecular FormulaC25H27FN4O
Molecular Weight418.52 g/mol
Exact Mass418.22
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCc1ccccc1-c1ccc(N2CCC(C(=O)NCCc3ccc(F)cc3)CC2)nn1
InChIInChI=1S/C25H27FN4O/c1-18-4-2-3-5-22(18)23-10-11-24(29-28-23)30-16-13-20(14-17-30)25(31)27-15-12-19-6-8-21(26)9-7-19/h2-11,20H,12-17H2,1H3,(H,27,31)
InChIKeyKJUIDTOZVHKDSH-UHFFFAOYSA-N
XLogP4.17
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363820
1-[6-(2-methylphenyl)pyridazin-3-yl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 30363605
N-[(4-fluorophenyl)methyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363214
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-(3-fluoro-4-methylphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363862
N-cyclohexyl-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363619
(3S)-N-(3-methylbutyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055658
N-(5-methyl-1,2-oxazol-3-yl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 121071798
N-(3,4-dimethoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363714
N-[(4-fluorophenyl)methyl]-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364948
methyl 2-[[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carbonyl]amino]benzoate
CID 30363740

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide (CID 121071849) is N-[2-(4-fluorophenyl)ethyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide is Cc1ccccc1-c1ccc(N2CCC(C(=O)NCCc3ccc(F)cc3)CC2)nn1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is KJUIDTOZVHKDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O/c1-18-4-2-3-5-22(18)23-10-11-24(29-28-23)30-16-13-20(14-17-30)25(31)27-15-12-19-6-8-21(26)9-7-19/h2-11,20H,12-17H2,1H3,(H,27,31).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 418.52 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 121071849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).