2-[1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-4-yl]acetamide

C17H19ClN4O — CID 136568304

IUPAC2-[1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1
InChIInChI=1S/C17H19ClN4O/c18-14-4-2-1-3-13(14)15-5-6-17(21-20-15)22-9-7-12(8-10-22)11-16(19)23/h1-6,12H,7-11H2,(H2,19,23)
InChIKeyRIEYWWVELCAPSX-UHFFFAOYSA-N
MW330.82 g/mol
LogP2.89
Rot. Bonds4

About 2-[1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-4-yl]acetamide

2-[1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-4-yl]acetamide (PubChem CID 136568304) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is 2-[1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-4-yl]acetamide
PubChem CID136568304
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC Name2-[1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1
InChIInChI=1S/C17H19ClN4O/c18-14-4-2-1-3-13(14)15-5-6-17(21-20-15)22-9-7-12(8-10-22)11-16(19)23/h1-6,12H,7-11H2,(H2,19,23)
InChIKeyRIEYWWVELCAPSX-UHFFFAOYSA-N
XLogP2.89
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidine-4-carboxylic acid
CID 56770692
2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]acetamide
CID 54987893
1-[6-(2-chlorophenyl)pyridazin-3-yl]pyrrolidin-3-ol
CID 3022107
(3R)-1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-3-amine
CID 95361082
N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-cyclopropylcyclopropanecarboxamide
CID 46001868
N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]-N-(cyclopropylmethyl)cyclobutanecarboxamide
CID 46002095
N-butyl-N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 46001938
2-[1-(2-chloropyrimidin-4-yl)piperidin-4-yl]acetamide
CID 62341695
2-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]acetamide
CID 47319368
2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-4-yl]acetamide
CID 54989374
(2-amino-2-oxoethyl) 3-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]propanoate
CID 58032724
3,4-dichloro-N-[1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-3-yl]benzamide
CID 175425958

Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-4-yl]acetamide (CID 136568304) is 2-[1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-4-yl]acetamide is NC(=O)CC1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1.
What is the InChIKey of 2-[1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-4-yl]acetamide?
The InChIKey is RIEYWWVELCAPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O/c18-14-4-2-1-3-13(14)15-5-6-17(21-20-15)22-9-7-12(8-10-22)11-16(19)23/h1-6,12H,7-11H2,(H2,19,23).
What are the key properties of 2-[1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-4-yl]acetamide?
2-[1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-4-yl]acetamide has a molecular weight of 330.82 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 136568304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).