2-(4-chlorophenoxy)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide

C18H21ClN4O2 — CID 113039221

IUPAC2-(4-chlorophenoxy)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
SMILESCC1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3)nn2)CC1
InChIInChI=1S/C18H21ClN4O2/c1-13-8-10-23(11-9-13)17-7-6-16(21-22-17)20-18(24)12-25-15-4-2-14(19)3-5-15/h2-7,13H,8-12H2,1H3,(H,20,21,24)
InChIKeyWYJOPRDTHOOJPF-UHFFFAOYSA-N
MW360.85 g/mol
LogP3.38
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide

2-(4-chlorophenoxy)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide (PubChem CID 113039221) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
PubChem CID113039221
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC Name2-(4-chlorophenoxy)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
SMILESCC1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3)nn2)CC1
InChIInChI=1S/C18H21ClN4O2/c1-13-8-10-23(11-9-13)17-7-6-16(21-22-17)20-18(24)12-25-15-4-2-14(19)3-5-15/h2-7,13H,8-12H2,1H3,(H,20,21,24)
InChIKeyWYJOPRDTHOOJPF-UHFFFAOYSA-N
XLogP3.38
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenoxy)-N-(6-pyrrolidin-1-ylpyridazin-3-yl)acetamide
CID 113038736
2,3,4-trifluoro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzamide
CID 113039235
N-[6-(4-formylpiperazin-1-yl)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113040480
2-fluoro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzamide
CID 113039196
2-(4-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113039247
2-(4-tert-butylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43991479
2-(4-ethylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43991501
5-[[2-(4-chlorophenoxy)acetyl]amino]-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide
CID 1066572
N-(4-chlorophenyl)-4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122336002
4-chloro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide
CID 113039262
2-(4-chlorophenoxy)-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 99993525
2-(4-chlorophenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 132658442

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide (CID 113039221) is 2-(4-chlorophenoxy)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide is CC1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3)nn2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide?
The InChIKey is WYJOPRDTHOOJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-13-8-10-23(11-9-13)17-7-6-16(21-22-17)20-18(24)12-25-15-4-2-14(19)3-5-15/h2-7,13H,8-12H2,1H3,(H,20,21,24).
What are the key properties of 2-(4-chlorophenoxy)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide?
2-(4-chlorophenoxy)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide has a molecular weight of 360.85 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide is sourced from PubChem (CID 113039221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).