N-(6-cyclopropylpyridazin-3-yl)-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide

C16H23N5O — CID 128508405

IUPACN-(6-cyclopropylpyridazin-3-yl)-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide
SMILESCN1CCC2(CCN(C(=O)Nc3ccc(C4CC4)nn3)C2)C1
InChIInChI=1S/C16H23N5O/c1-20-8-6-16(10-20)7-9-21(11-16)15(22)17-14-5-4-13(18-19-14)12-2-3-12/h4-5,12H,2-3,6-11H2,1H3,(H,17,19,22)
InChIKeyKHUFGJVJDMINRJ-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.91
Rot. Bonds2

About N-(6-cyclopropylpyridazin-3-yl)-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide

N-(6-cyclopropylpyridazin-3-yl)-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide (PubChem CID 128508405) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(6-cyclopropylpyridazin-3-yl)-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide.

Molecular Properties

Compound NameN-(6-cyclopropylpyridazin-3-yl)-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide
PubChem CID128508405
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN-(6-cyclopropylpyridazin-3-yl)-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide
SMILESCN1CCC2(CCN(C(=O)Nc3ccc(C4CC4)nn3)C2)C1
InChIInChI=1S/C16H23N5O/c1-20-8-6-16(10-20)7-9-21(11-16)15(22)17-14-5-4-13(18-19-14)12-2-3-12/h4-5,12H,2-3,6-11H2,1H3,(H,17,19,22)
InChIKeyKHUFGJVJDMINRJ-UHFFFAOYSA-N
XLogP1.91
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-cyclopropylpyridazin-3-yl)-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide?
The IUPAC name of N-(6-cyclopropylpyridazin-3-yl)-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide (CID 128508405) is N-(6-cyclopropylpyridazin-3-yl)-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide.
What is the SMILES notation for N-(6-cyclopropylpyridazin-3-yl)-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide?
The canonical SMILES for N-(6-cyclopropylpyridazin-3-yl)-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide is CN1CCC2(CCN(C(=O)Nc3ccc(C4CC4)nn3)C2)C1.
What is the InChIKey of N-(6-cyclopropylpyridazin-3-yl)-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide?
The InChIKey is KHUFGJVJDMINRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-20-8-6-16(10-20)7-9-21(11-16)15(22)17-14-5-4-13(18-19-14)12-2-3-12/h4-5,12H,2-3,6-11H2,1H3,(H,17,19,22).
What are the key properties of N-(6-cyclopropylpyridazin-3-yl)-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide?
N-(6-cyclopropylpyridazin-3-yl)-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyclopropylpyridazin-3-yl)-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide is sourced from PubChem (CID 128508405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).