N-(2,5-difluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide

C23H22F2N4O — CID 30363998

IUPACN-(2,5-difluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCc1ccccc1-c1ccc(N2CCC(C(=O)Nc3cc(F)ccc3F)CC2)nn1
InChIInChI=1S/C23H22F2N4O/c1-15-4-2-3-5-18(15)20-8-9-22(28-27-20)29-12-10-16(11-13-29)23(30)26-21-14-17(24)6-7-19(21)25/h2-9,14,16H,10-13H2,1H3,(H,26,30)
InChIKeyCMQBRJBESJULQL-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.59
Rot. Bonds4

About N-(2,5-difluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide

N-(2,5-difluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 30363998) has the molecular formula C23H22F2N4O and a molecular weight of 408.45 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID30363998
Molecular FormulaC23H22F2N4O
Molecular Weight408.45 g/mol
Exact Mass408.18
IUPAC NameN-(2,5-difluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCc1ccccc1-c1ccc(N2CCC(C(=O)Nc3cc(F)ccc3F)CC2)nn1
InChIInChI=1S/C23H22F2N4O/c1-15-4-2-3-5-18(15)20-8-9-22(28-27-20)29-12-10-16(11-13-29)23(30)26-21-14-17(24)6-7-19(21)25/h2-9,14,16H,10-13H2,1H3,(H,26,30)
InChIKeyCMQBRJBESJULQL-UHFFFAOYSA-N
XLogP4.59
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluoro-4-methylphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363862
N-(2,4-difluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070657
N-(2,5-difluorophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30364631
N-[(4-fluorophenyl)methyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363820
methyl 2-[[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carbonyl]amino]benzoate
CID 30363740
N-(5-methyl-1,2-oxazol-3-yl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 121071798
N-(2-methyl-4-nitrophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363727
N-[2-(4-fluorophenyl)ethyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 121071849
N-(2-fluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070656
N-(3,4-dimethoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363714
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

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide (CID 30363998) is N-(2,5-difluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide is Cc1ccccc1-c1ccc(N2CCC(C(=O)Nc3cc(F)ccc3F)CC2)nn1.
What is the InChIKey of N-(2,5-difluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is CMQBRJBESJULQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O/c1-15-4-2-3-5-18(15)20-8-9-22(28-27-20)29-12-10-16(11-13-29)23(30)26-21-14-17(24)6-7-19(21)25/h2-9,14,16H,10-13H2,1H3,(H,26,30).
What are the key properties of N-(2,5-difluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
N-(2,5-difluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 408.45 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 30363998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).