N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylpropanamide

C20H26N4O — CID 113044874

IUPACN-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)nn1
InChIInChI=1S/C20H26N4O/c1-15(2)20(25)21-18-8-9-19(23-22-18)24-12-10-17(11-13-24)14-16-6-4-3-5-7-16/h3-9,15,17H,10-14H2,1-2H3,(H,21,22,25)
InChIKeyWSINFRILKKXJDF-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.53
Rot. Bonds5

About N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylpropanamide

N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylpropanamide (PubChem CID 113044874) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylpropanamide
PubChem CID113044874
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)nn1
InChIInChI=1S/C20H26N4O/c1-15(2)20(25)21-18-8-9-19(23-22-18)24-12-10-17(11-13-24)14-16-6-4-3-5-7-16/h3-9,15,17H,10-14H2,1-2H3,(H,21,22,25)
InChIKeyWSINFRILKKXJDF-UHFFFAOYSA-N
XLogP3.53
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate
CID 113044887
tert-butyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate
CID 113044889
N-[6-(4-acetylpiperidin-1-yl)pyridazin-3-yl]-2-methylpropanamide
CID 166112176
6-(4-benzylpiperidin-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide
CID 121028359
6-(4-benzylpiperidin-1-yl)-N-pyrimidin-2-ylpyridazine-3-carboxamide
CID 121028453
6-(4-benzylpiperidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyridazine-3-carboxamide
CID 71778645
6-[4-[(4-propan-2-ylphenyl)methyl]piperidin-1-yl]pyridazine-3-carboxamide
CID 133473201
N-[5-(4-benzylpiperidin-1-yl)-2-pyridinyl]-3-methylbutanamide
CID 113030634
6-(4-benzylpiperidin-1-yl)-N-cyclohexylpyridazine-3-carboxamide
CID 121028303
6-(4-benzylpiperidin-1-yl)-N-naphthalen-1-ylpyridazine-3-carboxamide
CID 121028392
N-(6-morpholin-4-ylpyridazin-3-yl)-2-phenylacetamide
CID 113039672
3-(4-benzylpiperidin-1-yl)-6-(chloromethyl)pyridazine
CID 61255755

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylpropanamide?
The IUPAC name of N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylpropanamide (CID 113044874) is N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)nn1.
What is the InChIKey of N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylpropanamide?
The InChIKey is WSINFRILKKXJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-15(2)20(25)21-18-8-9-19(23-22-18)24-12-10-17(11-13-24)14-16-6-4-3-5-7-16/h3-9,15,17H,10-14H2,1-2H3,(H,21,22,25).
What are the key properties of N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylpropanamide?
N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylpropanamide has a molecular weight of 338.46 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 113044874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).