9-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide

C15H23N5O — CID 97450440

IUPAC9-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide
SMILESCc1ccc(N2CCC3(CCN(C(N)=O)CC3)CC2)nn1
InChIInChI=1S/C15H23N5O/c1-12-2-3-13(18-17-12)19-8-4-15(5-9-19)6-10-20(11-7-15)14(16)21/h2-3H,4-11H2,1H3,(H2,16,21)
InChIKeyALSBZFOECXMETD-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.55
Rot. Bonds1

About 9-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide

9-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide (PubChem CID 97450440) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 9-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide.

Molecular Properties

Compound Name9-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide
PubChem CID97450440
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name9-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide
SMILESCc1ccc(N2CCC3(CCN(C(N)=O)CC3)CC2)nn1
InChIInChI=1S/C15H23N5O/c1-12-2-3-13(18-17-12)19-8-4-15(5-9-19)6-10-20(11-7-15)14(16)21/h2-3H,4-11H2,1H3,(H2,16,21)
InChIKeyALSBZFOECXMETD-UHFFFAOYSA-N
XLogP1.55
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide?
The IUPAC name of 9-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide (CID 97450440) is 9-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide.
What is the SMILES notation for 9-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide?
The canonical SMILES for 9-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide is Cc1ccc(N2CCC3(CCN(C(N)=O)CC3)CC2)nn1.
What is the InChIKey of 9-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide?
The InChIKey is ALSBZFOECXMETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-12-2-3-13(18-17-12)19-8-4-15(5-9-19)6-10-20(11-7-15)14(16)21/h2-3H,4-11H2,1H3,(H2,16,21).
What are the key properties of 9-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide?
9-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide is sourced from PubChem (CID 97450440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).