N-(5,6-dimethylpyridazin-3-yl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide

C18H26N4O2 — CID 167925518

IUPACN-(5,6-dimethylpyridazin-3-yl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide
SMILESCc1cc(NC(=O)N2CC3(CCC3)C2C2CCOCC2)nnc1C
InChIInChI=1S/C18H26N4O2/c1-12-10-15(21-20-13(12)2)19-17(23)22-11-18(6-3-7-18)16(22)14-4-8-24-9-5-14/h10,14,16H,3-9,11H2,1-2H3,(H,19,21,23)
InChIKeyQZUJKORKKLALQI-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.91
Rot. Bonds2

About N-(5,6-dimethylpyridazin-3-yl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide

N-(5,6-dimethylpyridazin-3-yl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide (PubChem CID 167925518) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(5,6-dimethylpyridazin-3-yl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(5,6-dimethylpyridazin-3-yl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide
PubChem CID167925518
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-(5,6-dimethylpyridazin-3-yl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide
SMILESCc1cc(NC(=O)N2CC3(CCC3)C2C2CCOCC2)nnc1C
InChIInChI=1S/C18H26N4O2/c1-12-10-15(21-20-13(12)2)19-17(23)22-11-18(6-3-7-18)16(22)14-4-8-24-9-5-14/h10,14,16H,3-9,11H2,1-2H3,(H,19,21,23)
InChIKeyQZUJKORKKLALQI-UHFFFAOYSA-N
XLogP2.91
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethylpyridazin-3-yl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide?
The IUPAC name of N-(5,6-dimethylpyridazin-3-yl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide (CID 167925518) is N-(5,6-dimethylpyridazin-3-yl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide.
What is the SMILES notation for N-(5,6-dimethylpyridazin-3-yl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide?
The canonical SMILES for N-(5,6-dimethylpyridazin-3-yl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide is Cc1cc(NC(=O)N2CC3(CCC3)C2C2CCOCC2)nnc1C.
What is the InChIKey of N-(5,6-dimethylpyridazin-3-yl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide?
The InChIKey is QZUJKORKKLALQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-12-10-15(21-20-13(12)2)19-17(23)22-11-18(6-3-7-18)16(22)14-4-8-24-9-5-14/h10,14,16H,3-9,11H2,1-2H3,(H,19,21,23).
What are the key properties of N-(5,6-dimethylpyridazin-3-yl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide?
N-(5,6-dimethylpyridazin-3-yl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethylpyridazin-3-yl)-3-(oxan-4-yl)-2-azaspiro[3.3]heptane-2-carboxamide is sourced from PubChem (CID 167925518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).