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

C17H27N5O — CID 97370755

IUPACN,N-dimethyl-9-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide
SMILESCc1ccc(N2CCC3(CCN(C(=O)N(C)C)CC3)CC2)nn1
InChIInChI=1S/C17H27N5O/c1-14-4-5-15(19-18-14)21-10-6-17(7-11-21)8-12-22(13-9-17)16(23)20(2)3/h4-5H,6-13H2,1-3H3
InChIKeyWVFXUMFJUALGEL-UHFFFAOYSA-N
MW317.44 g/mol
LogP2.15
Rot. Bonds1

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

N,N-dimethyl-9-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide (PubChem CID 97370755) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is N,N-dimethyl-9-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-9-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide
PubChem CID97370755
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC NameN,N-dimethyl-9-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide
SMILESCc1ccc(N2CCC3(CCN(C(=O)N(C)C)CC3)CC2)nn1
InChIInChI=1S/C17H27N5O/c1-14-4-5-15(19-18-14)21-10-6-17(7-11-21)8-12-22(13-9-17)16(23)20(2)3/h4-5H,6-13H2,1-3H3
InChIKeyWVFXUMFJUALGEL-UHFFFAOYSA-N
XLogP2.15
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-9-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide?
The IUPAC name of N,N-dimethyl-9-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide (CID 97370755) is N,N-dimethyl-9-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-9-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide?
The canonical SMILES for N,N-dimethyl-9-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide is Cc1ccc(N2CCC3(CCN(C(=O)N(C)C)CC3)CC2)nn1.
What is the InChIKey of N,N-dimethyl-9-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide?
The InChIKey is WVFXUMFJUALGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-14-4-5-15(19-18-14)21-10-6-17(7-11-21)8-12-22(13-9-17)16(23)20(2)3/h4-5H,6-13H2,1-3H3.
What are the key properties of N,N-dimethyl-9-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide?
N,N-dimethyl-9-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-9-(6-methylpyridazin-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide is sourced from PubChem (CID 97370755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).