2-[3-[(6-anilinopyridazin-3-yl)methyl]piperidin-1-yl]acetamide

C18H23N5O — CID 110271600

IUPAC2-[3-[(6-anilinopyridazin-3-yl)methyl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCCC(Cc2ccc(Nc3ccccc3)nn2)C1
InChIInChI=1S/C18H23N5O/c19-17(24)13-23-10-4-5-14(12-23)11-16-8-9-18(22-21-16)20-15-6-2-1-3-7-15/h1-3,6-9,14H,4-5,10-13H2,(H2,19,24)(H,20,22)
InChIKeySYMMDRZVPVNHRI-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.96
Rot. Bonds6

About 2-[3-[(6-anilinopyridazin-3-yl)methyl]piperidin-1-yl]acetamide

2-[3-[(6-anilinopyridazin-3-yl)methyl]piperidin-1-yl]acetamide (PubChem CID 110271600) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-[3-[(6-anilinopyridazin-3-yl)methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[(6-anilinopyridazin-3-yl)methyl]piperidin-1-yl]acetamide
PubChem CID110271600
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name2-[3-[(6-anilinopyridazin-3-yl)methyl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCCC(Cc2ccc(Nc3ccccc3)nn2)C1
InChIInChI=1S/C18H23N5O/c19-17(24)13-23-10-4-5-14(12-23)11-16-8-9-18(22-21-16)20-15-6-2-1-3-7-15/h1-3,6-9,14H,4-5,10-13H2,(H2,19,24)(H,20,22)
InChIKeySYMMDRZVPVNHRI-UHFFFAOYSA-N
XLogP1.96
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R)-3-[[6-(2-methoxyethylamino)pyridazin-3-yl]methyl]piperidin-1-yl]-N,N-dimethylacetamide
CID 95847101
(2-fluorophenyl)-[3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone
CID 127245492
2-[3-(fluoromethyl)piperidin-1-yl]-N-phenylacetamide
CID 171690935
6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazine-3-carboxylic acid
CID 95804599
6-[(1-acetylpiperidin-3-yl)methyl]pyridazine-3-carboxylic acid
CID 110246143
[3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 118741492
2-[1-(2-anilino-2-oxoethyl)pyrrolidin-3-yl]acetamide
CID 19705544
2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-N-phenylacetamide
CID 63847086
(3-methoxyphenyl)-[3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone
CID 127245494
2-amino-1-[3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone
CID 110271601
2-(4-benzylpiperidin-1-yl)acetamide
CID 6465422
N-cyclopentyl-6-[[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]pyridazin-3-amine;formic acid
CID 118747416

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(6-anilinopyridazin-3-yl)methyl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[3-[(6-anilinopyridazin-3-yl)methyl]piperidin-1-yl]acetamide (CID 110271600) is 2-[3-[(6-anilinopyridazin-3-yl)methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[3-[(6-anilinopyridazin-3-yl)methyl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[3-[(6-anilinopyridazin-3-yl)methyl]piperidin-1-yl]acetamide is NC(=O)CN1CCCC(Cc2ccc(Nc3ccccc3)nn2)C1.
What is the InChIKey of 2-[3-[(6-anilinopyridazin-3-yl)methyl]piperidin-1-yl]acetamide?
The InChIKey is SYMMDRZVPVNHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c19-17(24)13-23-10-4-5-14(12-23)11-16-8-9-18(22-21-16)20-15-6-2-1-3-7-15/h1-3,6-9,14H,4-5,10-13H2,(H2,19,24)(H,20,22).
What are the key properties of 2-[3-[(6-anilinopyridazin-3-yl)methyl]piperidin-1-yl]acetamide?
2-[3-[(6-anilinopyridazin-3-yl)methyl]piperidin-1-yl]acetamide has a molecular weight of 325.42 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(6-anilinopyridazin-3-yl)methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 110271600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).