1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one

C19H24N4O3 — CID 137029429

IUPAC1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one
SMILESCC(C)(O)C(=O)N1CCC(c2cc(-c3ccccc3O)nnc2N)CC1
InChIInChI=1S/C19H24N4O3/c1-19(2,26)18(25)23-9-7-12(8-10-23)14-11-15(21-22-17(14)20)13-5-3-4-6-16(13)24/h3-6,11-12,24,26H,7-10H2,1-2H3,(H2,20,22)
InChIKeyKNOMYXUEWDDRJL-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.91
Rot. Bonds3

About 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one

1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one (PubChem CID 137029429) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one
PubChem CID137029429
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one
SMILESCC(C)(O)C(=O)N1CCC(c2cc(-c3ccccc3O)nnc2N)CC1
InChIInChI=1S/C19H24N4O3/c1-19(2,26)18(25)23-9-7-12(8-10-23)14-11-15(21-22-17(14)20)13-5-3-4-6-16(13)24/h3-6,11-12,24,26H,7-10H2,1-2H3,(H2,20,22)
InChIKeyKNOMYXUEWDDRJL-UHFFFAOYSA-N
XLogP1.91
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Gne-064
CID 137029447
US10308614, Example 189
CID 137029365
US10308614, Example 132
CID 137029390
US10308614, Example 223
CID 137029397
US10308614, Example 4
CID 137029408
US10308614, Example 146
CID 137029423
US10308614, Example 216
CID 137029440
1-((2R,6R)-4-(3-amino-
CID 137029449
US10308614, Example 127
CID 137029466
2-(6-amino-5-((1,4-trans)-4-methylcyclohexyl)pyridazin-3-yl)phenol and Cis-2-(6-amino-5-((1,4-cis-4-methylcyclohexyl)pyridazin-3-yl)phenol
CID 137029474
US10308614, Example 130
CID 137029487
US10308614, Example 214
CID 137029489

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one?
The IUPAC name of 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one (CID 137029429) is 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one is CC(C)(O)C(=O)N1CCC(c2cc(-c3ccccc3O)nnc2N)CC1.
What is the InChIKey of 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one?
The InChIKey is KNOMYXUEWDDRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-19(2,26)18(25)23-9-7-12(8-10-23)14-11-15(21-22-17(14)20)13-5-3-4-6-16(13)24/h3-6,11-12,24,26H,7-10H2,1-2H3,(H2,20,22).
What are the key properties of 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one?
1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one has a molecular weight of 356.43 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 137029429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).