N-(1-azaspiro[3.3]heptan-6-yl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide

C19H30N4O3 — CID 170557222

IUPACN-(1-azaspiro[3.3]heptan-6-yl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
SMILESCC(C)COc1cc(=O)n(CC(=O)NC2CC3(CCN3)C2)nc1C(C)C
InChIInChI=1S/C19H30N4O3/c1-12(2)11-26-15-7-17(25)23(22-18(15)13(3)4)10-16(24)21-14-8-19(9-14)5-6-20-19/h7,12-14,20H,5-6,8-11H2,1-4H3,(H,21,24)
InChIKeyWNEOCVLJIYQLGQ-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.41
Rot. Bonds7

About N-(1-azaspiro[3.3]heptan-6-yl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide

N-(1-azaspiro[3.3]heptan-6-yl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide (PubChem CID 170557222) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-(1-azaspiro[3.3]heptan-6-yl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-azaspiro[3.3]heptan-6-yl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
PubChem CID170557222
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC NameN-(1-azaspiro[3.3]heptan-6-yl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
SMILESCC(C)COc1cc(=O)n(CC(=O)NC2CC3(CCN3)C2)nc1C(C)C
InChIInChI=1S/C19H30N4O3/c1-12(2)11-26-15-7-17(25)23(22-18(15)13(3)4)10-16(24)21-14-8-19(9-14)5-6-20-19/h7,12-14,20H,5-6,8-11H2,1-4H3,(H,21,24)
InChIKeyWNEOCVLJIYQLGQ-UHFFFAOYSA-N
XLogP1.41
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-azaspiro[3.3]heptan-6-yl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
The IUPAC name of N-(1-azaspiro[3.3]heptan-6-yl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide (CID 170557222) is N-(1-azaspiro[3.3]heptan-6-yl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide.
What is the SMILES notation for N-(1-azaspiro[3.3]heptan-6-yl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
The canonical SMILES for N-(1-azaspiro[3.3]heptan-6-yl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide is CC(C)COc1cc(=O)n(CC(=O)NC2CC3(CCN3)C2)nc1C(C)C.
What is the InChIKey of N-(1-azaspiro[3.3]heptan-6-yl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
The InChIKey is WNEOCVLJIYQLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-12(2)11-26-15-7-17(25)23(22-18(15)13(3)4)10-16(24)21-14-8-19(9-14)5-6-20-19/h7,12-14,20H,5-6,8-11H2,1-4H3,(H,21,24).
What are the key properties of N-(1-azaspiro[3.3]heptan-6-yl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
N-(1-azaspiro[3.3]heptan-6-yl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide has a molecular weight of 362.47 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azaspiro[3.3]heptan-6-yl)-2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide is sourced from PubChem (CID 170557222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).