2-(2-methylpropyl)-7-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.5]nonan-3-one

C17H25N3O — CID 97472836

IUPAC2-(2-methylpropyl)-7-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.5]nonan-3-one
SMILESCc1cccc(N2CCC3(CC2)CN(CC(C)C)C3=O)n1
InChIInChI=1S/C17H25N3O/c1-13(2)11-20-12-17(16(20)21)7-9-19(10-8-17)15-6-4-5-14(3)18-15/h4-6,13H,7-12H2,1-3H3
InChIKeyXSQQGHWJHSACCP-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.47
Rot. Bonds3

About 2-(2-methylpropyl)-7-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.5]nonan-3-one

2-(2-methylpropyl)-7-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.5]nonan-3-one (PubChem CID 97472836) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-(2-methylpropyl)-7-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.5]nonan-3-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-7-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.5]nonan-3-one
PubChem CID97472836
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-(2-methylpropyl)-7-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.5]nonan-3-one
SMILESCc1cccc(N2CCC3(CC2)CN(CC(C)C)C3=O)n1
InChIInChI=1S/C17H25N3O/c1-13(2)11-20-12-17(16(20)21)7-9-19(10-8-17)15-6-4-5-14(3)18-15/h4-6,13H,7-12H2,1-3H3
InChIKeyXSQQGHWJHSACCP-UHFFFAOYSA-N
XLogP2.47
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(6-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 97472888
(5R)-2-[(3-methylphenyl)methyl]-7-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97385757
2-(azetidin-1-yl)-6-methylpyridine
CID 54182749
4-(6-methyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide
CID 90274730
2-(3,3-dimethylazetidin-1-yl)-6-methylpyridine
CID 142297268
1-(6-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine
CID 133313241
2-methyl-1-[4-(6-methyl-2-pyridinyl)-1,4-diazepan-1-yl]propan-1-one
CID 133482860
2-[(3-methylphenyl)methyl]-7-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 118744004
2-methyl-9-(6-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155842713
8-(5-fluoropyrimidin-2-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449706
ethane;N-methylmethanamine;2-methyl-6-pyrrolidin-1-ylpyridine
CID 156652479
ethane;4-(6-methyl-2-pyridinyl)morpholine
CID 143966353

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-7-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.5]nonan-3-one?
The IUPAC name of 2-(2-methylpropyl)-7-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.5]nonan-3-one (CID 97472836) is 2-(2-methylpropyl)-7-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.5]nonan-3-one.
What is the SMILES notation for 2-(2-methylpropyl)-7-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.5]nonan-3-one?
The canonical SMILES for 2-(2-methylpropyl)-7-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.5]nonan-3-one is Cc1cccc(N2CCC3(CC2)CN(CC(C)C)C3=O)n1.
What is the InChIKey of 2-(2-methylpropyl)-7-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.5]nonan-3-one?
The InChIKey is XSQQGHWJHSACCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13(2)11-20-12-17(16(20)21)7-9-19(10-8-17)15-6-4-5-14(3)18-15/h4-6,13H,7-12H2,1-3H3.
What are the key properties of 2-(2-methylpropyl)-7-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.5]nonan-3-one?
2-(2-methylpropyl)-7-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.5]nonan-3-one has a molecular weight of 287.41 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-7-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.5]nonan-3-one is sourced from PubChem (CID 97472836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).