N-(1-bicyclo[1.1.1]pentanyl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide

C18H27N3O3 — CID 164914171

IUPACN-(1-bicyclo[1.1.1]pentanyl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
SMILESCC(C)COc1cc(=O)n(CC(=O)NC23CC(C2)C3)nc1C(C)C
InChIInChI=1S/C18H27N3O3/c1-11(2)10-24-14-5-16(23)21(20-17(14)12(3)4)9-15(22)19-18-6-13(7-18)8-18/h5,11-13H,6-10H2,1-4H3,(H,19,22)
InChIKeyAYRCCIJVOPESQS-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.07
Rot. Bonds7

About N-(1-bicyclo[1.1.1]pentanyl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide

N-(1-bicyclo[1.1.1]pentanyl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide (PubChem CID 164914171) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-(1-bicyclo[1.1.1]pentanyl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-bicyclo[1.1.1]pentanyl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
PubChem CID164914171
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-(1-bicyclo[1.1.1]pentanyl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
SMILESCC(C)COc1cc(=O)n(CC(=O)NC23CC(C2)C3)nc1C(C)C
InChIInChI=1S/C18H27N3O3/c1-11(2)10-24-14-5-16(23)21(20-17(14)12(3)4)9-15(22)19-18-6-13(7-18)8-18/h5,11-13H,6-10H2,1-4H3,(H,19,22)
InChIKeyAYRCCIJVOPESQS-UHFFFAOYSA-N
XLogP2.07
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
The IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide (CID 164914171) is N-(1-bicyclo[1.1.1]pentanyl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide.
What is the SMILES notation for N-(1-bicyclo[1.1.1]pentanyl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
The canonical SMILES for N-(1-bicyclo[1.1.1]pentanyl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide is CC(C)COc1cc(=O)n(CC(=O)NC23CC(C2)C3)nc1C(C)C.
What is the InChIKey of N-(1-bicyclo[1.1.1]pentanyl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
The InChIKey is AYRCCIJVOPESQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-11(2)10-24-14-5-16(23)21(20-17(14)12(3)4)9-15(22)19-18-6-13(7-18)8-18/h5,11-13H,6-10H2,1-4H3,(H,19,22).
What are the key properties of N-(1-bicyclo[1.1.1]pentanyl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
N-(1-bicyclo[1.1.1]pentanyl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide has a molecular weight of 333.43 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bicyclo[1.1.1]pentanyl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide is sourced from PubChem (CID 164914171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).