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

C24H25FN4O — CID 30362654

IUPACN-(2,3-dimethylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)c1C
InChIInChI=1S/C24H25FN4O/c1-16-4-3-5-21(17(16)2)26-24(30)19-12-14-29(15-13-19)23-11-10-22(27-28-23)18-6-8-20(25)9-7-18/h3-11,19H,12-15H2,1-2H3,(H,26,30)
InChIKeyPHVWAXWKXXHUCG-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.75
Rot. Bonds4

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

N-(2,3-dimethylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 30362654) has the molecular formula C24H25FN4O and a molecular weight of 404.49 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID30362654
Molecular FormulaC24H25FN4O
Molecular Weight404.49 g/mol
Exact Mass404.20
IUPAC NameN-(2,3-dimethylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)c1C
InChIInChI=1S/C24H25FN4O/c1-16-4-3-5-21(17(16)2)26-24(30)19-12-14-29(15-13-19)23-11-10-22(27-28-23)18-6-8-20(25)9-7-18/h3-11,19H,12-15H2,1-2H3,(H,26,30)
InChIKeyPHVWAXWKXXHUCG-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

Analyze N-(2,3-dimethylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide (CID 30362654) is N-(2,3-dimethylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide is Cc1cccc(NC(=O)C2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is PHVWAXWKXXHUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O/c1-16-4-3-5-21(17(16)2)26-24(30)19-12-14-29(15-13-19)23-11-10-22(27-28-23)18-6-8-20(25)9-7-18/h3-11,19H,12-15H2,1-2H3,(H,26,30).
What are the key properties of N-(2,3-dimethylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide?
N-(2,3-dimethylphenyl)-1-[6-(4-fluorophenyl)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-(2,3-dimethylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 30362654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).