N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(4-methylphenyl)acetamide

C20H26N4O2 — CID 91911776

IUPACN-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(4-methylphenyl)acetamide
SMILESCCn1ncc(N2CCC(NC(=O)Cc3ccc(C)cc3)CC2)cc1=O
InChIInChI=1S/C20H26N4O2/c1-3-24-20(26)13-18(14-21-24)23-10-8-17(9-11-23)22-19(25)12-16-6-4-15(2)5-7-16/h4-7,13-14,17H,3,8-12H2,1-2H3,(H,22,25)
InChIKeyOLJFZFBPCPHZQC-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.90
Rot. Bonds5

About N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(4-methylphenyl)acetamide

N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(4-methylphenyl)acetamide (PubChem CID 91911776) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(4-methylphenyl)acetamide
PubChem CID91911776
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(4-methylphenyl)acetamide
SMILESCCn1ncc(N2CCC(NC(=O)Cc3ccc(C)cc3)CC2)cc1=O
InChIInChI=1S/C20H26N4O2/c1-3-24-20(26)13-18(14-21-24)23-10-8-17(9-11-23)22-19(25)12-16-6-4-15(2)5-7-16/h4-7,13-14,17H,3,8-12H2,1-2H3,(H,22,25)
InChIKeyOLJFZFBPCPHZQC-UHFFFAOYSA-N
XLogP1.90
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]acetamide
CID 91924055
N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-4-methoxy-2-methylbenzamide
CID 91924053
N-[1-(1-benzyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-methylpropanamide
CID 91911804
N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-fluoro-4-methoxybenzamide
CID 91911783
N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2,6-dimethoxypyridine-3-carboxamide
CID 91911769
N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methylbutanamide
CID 91924068
ethane;2-(4-methylphenyl)-N-(1-phenylpyrrolidin-3-yl)acetamide
CID 167597146
N-[1-(1-benzyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylthiophene-2-carboxamide
CID 91911806
2-cyclohexyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]acetamide
CID 91924035
N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methoxybenzamide
CID 91924069
2-(3,4-dichlorophenyl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 60566359
2-propyl-5-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one
CID 53202211

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(4-methylphenyl)acetamide (CID 91911776) is N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(4-methylphenyl)acetamide is CCn1ncc(N2CCC(NC(=O)Cc3ccc(C)cc3)CC2)cc1=O.
What is the InChIKey of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(4-methylphenyl)acetamide?
The InChIKey is OLJFZFBPCPHZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-3-24-20(26)13-18(14-21-24)23-10-8-17(9-11-23)22-19(25)12-16-6-4-15(2)5-7-16/h4-7,13-14,17H,3,8-12H2,1-2H3,(H,22,25).
What are the key properties of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(4-methylphenyl)acetamide?
N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(4-methylphenyl)acetamide has a molecular weight of 354.45 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 91911776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).