9-methyl-N-pyridazin-3-yl-6-azaspiro[3.5]nonane-6-carboxamide

C14H20N4O — CID 138998106

IUPAC9-methyl-N-pyridazin-3-yl-6-azaspiro[3.5]nonane-6-carboxamide
SMILESCC1CCN(C(=O)Nc2cccnn2)CC12CCC2
InChIInChI=1S/C14H20N4O/c1-11-5-9-18(10-14(11)6-3-7-14)13(19)16-12-4-2-8-15-17-12/h2,4,8,11H,3,5-7,9-10H2,1H3,(H,16,17,19)
InChIKeyJPYXGCAYPZRYJS-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.52
Rot. Bonds1

About 9-methyl-N-pyridazin-3-yl-6-azaspiro[3.5]nonane-6-carboxamide

9-methyl-N-pyridazin-3-yl-6-azaspiro[3.5]nonane-6-carboxamide (PubChem CID 138998106) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 9-methyl-N-pyridazin-3-yl-6-azaspiro[3.5]nonane-6-carboxamide.

Molecular Properties

Compound Name9-methyl-N-pyridazin-3-yl-6-azaspiro[3.5]nonane-6-carboxamide
PubChem CID138998106
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name9-methyl-N-pyridazin-3-yl-6-azaspiro[3.5]nonane-6-carboxamide
SMILESCC1CCN(C(=O)Nc2cccnn2)CC12CCC2
InChIInChI=1S/C14H20N4O/c1-11-5-9-18(10-14(11)6-3-7-14)13(19)16-12-4-2-8-15-17-12/h2,4,8,11H,3,5-7,9-10H2,1H3,(H,16,17,19)
InChIKeyJPYXGCAYPZRYJS-UHFFFAOYSA-N
XLogP2.52
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-pyridazin-3-yl-6-azaspiro[3.5]nonane-6-carboxamide?
The IUPAC name of 9-methyl-N-pyridazin-3-yl-6-azaspiro[3.5]nonane-6-carboxamide (CID 138998106) is 9-methyl-N-pyridazin-3-yl-6-azaspiro[3.5]nonane-6-carboxamide.
What is the SMILES notation for 9-methyl-N-pyridazin-3-yl-6-azaspiro[3.5]nonane-6-carboxamide?
The canonical SMILES for 9-methyl-N-pyridazin-3-yl-6-azaspiro[3.5]nonane-6-carboxamide is CC1CCN(C(=O)Nc2cccnn2)CC12CCC2.
What is the InChIKey of 9-methyl-N-pyridazin-3-yl-6-azaspiro[3.5]nonane-6-carboxamide?
The InChIKey is JPYXGCAYPZRYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-11-5-9-18(10-14(11)6-3-7-14)13(19)16-12-4-2-8-15-17-12/h2,4,8,11H,3,5-7,9-10H2,1H3,(H,16,17,19).
What are the key properties of 9-methyl-N-pyridazin-3-yl-6-azaspiro[3.5]nonane-6-carboxamide?
9-methyl-N-pyridazin-3-yl-6-azaspiro[3.5]nonane-6-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-pyridazin-3-yl-6-azaspiro[3.5]nonane-6-carboxamide is sourced from PubChem (CID 138998106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).