3-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]ethyl]-N,N-dimethylbicyclo[1.1.1]pentane-1-carboxamide

C20H24N4O2 — CID 163373727

IUPAC3-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]ethyl]-N,N-dimethylbicyclo[1.1.1]pentane-1-carboxamide
SMILESCN(C)C(=O)C12CC(CCc3cc(-c4ccccc4O)nnc3N)(C1)C2
InChIInChI=1S/C20H24N4O2/c1-24(2)18(26)20-10-19(11-20,12-20)8-7-13-9-15(22-23-17(13)21)14-5-3-4-6-16(14)25/h3-6,9,25H,7-8,10-12H2,1-2H3,(H2,21,23)
InChIKeyHSWXEEHMZWYVLL-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.62
Rot. Bonds5

About 3-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]ethyl]-N,N-dimethylbicyclo[1.1.1]pentane-1-carboxamide

3-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]ethyl]-N,N-dimethylbicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 163373727) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]ethyl]-N,N-dimethylbicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

Compound Name3-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]ethyl]-N,N-dimethylbicyclo[1.1.1]pentane-1-carboxamide
PubChem CID163373727
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name3-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]ethyl]-N,N-dimethylbicyclo[1.1.1]pentane-1-carboxamide
SMILESCN(C)C(=O)C12CC(CCc3cc(-c4ccccc4O)nnc3N)(C1)C2
InChIInChI=1S/C20H24N4O2/c1-24(2)18(26)20-10-19(11-20,12-20)8-7-13-9-15(22-23-17(13)21)14-5-3-4-6-16(14)25/h3-6,9,25H,7-8,10-12H2,1-2H3,(H2,21,23)
InChIKeyHSWXEEHMZWYVLL-UHFFFAOYSA-N
XLogP2.62
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]ethyl]-N,N-dimethylbicyclo[1.1.1]pentane-1-carboxamide with MolForge

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Related Compounds

US10308614, Example 189
CID 137029365
US10308614, Example 223
CID 137029397
US10308614, Example 229
CID 137029429
US10308614, Example 216
CID 137029440
US10308614, Example 211
CID 137029491
US10308614, Example 227
CID 137045953
Tert-butyl 3-(3-amino-6-
CID 137045968
Cis-and trans-1-(3-(3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl)-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 137277893
tert-butyl 4-[3-amino-6-(3-fluoro-2-hydroxyphenyl)pyridazin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 156113333
4-[3-amino-6-(3-fluoro-2-hydroxyphenyl)pyridazin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 175122170
1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 137029564
1-[4-[3-Amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 137029589

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]ethyl]-N,N-dimethylbicyclo[1.1.1]pentane-1-carboxamide?
The IUPAC name of 3-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]ethyl]-N,N-dimethylbicyclo[1.1.1]pentane-1-carboxamide (CID 163373727) is 3-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]ethyl]-N,N-dimethylbicyclo[1.1.1]pentane-1-carboxamide.
What is the SMILES notation for 3-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]ethyl]-N,N-dimethylbicyclo[1.1.1]pentane-1-carboxamide?
The canonical SMILES for 3-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]ethyl]-N,N-dimethylbicyclo[1.1.1]pentane-1-carboxamide is CN(C)C(=O)C12CC(CCc3cc(-c4ccccc4O)nnc3N)(C1)C2.
What is the InChIKey of 3-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]ethyl]-N,N-dimethylbicyclo[1.1.1]pentane-1-carboxamide?
The InChIKey is HSWXEEHMZWYVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-24(2)18(26)20-10-19(11-20,12-20)8-7-13-9-15(22-23-17(13)21)14-5-3-4-6-16(14)25/h3-6,9,25H,7-8,10-12H2,1-2H3,(H2,21,23).
What are the key properties of 3-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]ethyl]-N,N-dimethylbicyclo[1.1.1]pentane-1-carboxamide?
3-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]ethyl]-N,N-dimethylbicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]ethyl]-N,N-dimethylbicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 163373727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).