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

C22H24N4O2 — CID 30364463

IUPACN-(3,4-dimethylphenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3ccc(-c4ccco4)nn3)CC2)cc1C
InChIInChI=1S/C22H24N4O2/c1-15-5-6-18(14-16(15)2)23-22(27)17-9-11-26(12-10-17)21-8-7-19(24-25-21)20-4-3-13-28-20/h3-8,13-14,17H,9-12H2,1-2H3,(H,23,27)
InChIKeyYUCHVMPLERLLAG-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.21
Rot. Bonds4

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

N-(3,4-dimethylphenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 30364463) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID30364463
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-(3,4-dimethylphenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3ccc(-c4ccco4)nn3)CC2)cc1C
InChIInChI=1S/C22H24N4O2/c1-15-5-6-18(14-16(15)2)23-22(27)17-9-11-26(12-10-17)21-8-7-19(24-25-21)20-4-3-13-28-20/h3-8,13-14,17H,9-12H2,1-2H3,(H,23,27)
InChIKeyYUCHVMPLERLLAG-UHFFFAOYSA-N
XLogP4.21
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30364520
N-(4-carbamoylphenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30364254
1-[6-(furan-2-yl)pyridazin-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 30364587
N-(2,5-difluorophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30364631
N-(2,4-difluorophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30364392
N-(3,4-dimethylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514082
1-[6-(furan-2-yl)pyridazin-3-yl]-N-(2-methoxy-5-nitrophenyl)piperidine-4-carboxamide
CID 30364580
N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 121071713
N-(2-cyanophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 121071650
1-[6-(furan-2-yl)pyridazin-3-yl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 30364330
N-(3-fluoro-4-methylphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363862
1-[6-(furan-2-yl)pyridazin-3-yl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 121071686

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide (CID 30364463) is N-(3,4-dimethylphenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(c3ccc(-c4ccco4)nn3)CC2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is YUCHVMPLERLLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-5-6-18(14-16(15)2)23-22(27)17-9-11-26(12-10-17)21-8-7-19(24-25-21)20-4-3-13-28-20/h3-8,13-14,17H,9-12H2,1-2H3,(H,23,27).
What are the key properties of N-(3,4-dimethylphenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide?
N-(3,4-dimethylphenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 30364463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).