(5R)-2-(5-methylthiophen-2-yl)-7-(pyridine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one

C18H19N3O2S — CID 97374147

IUPAC(5R)-2-(5-methylthiophen-2-yl)-7-(pyridine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1ccc(N2C[C@]3(CCN(C(=O)c4ccccn4)C3)CC2=O)s1
InChIInChI=1S/C18H19N3O2S/c1-13-5-6-16(24-13)21-12-18(10-15(21)22)7-9-20(11-18)17(23)14-4-2-3-8-19-14/h2-6,8H,7,9-12H2,1H3/t18-/m1/s1
InChIKeyJBJALBJFZOLYJS-GOSISDBHSA-N
MW341.44 g/mol
LogP2.72
Rot. Bonds2

About (5R)-2-(5-methylthiophen-2-yl)-7-(pyridine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one

(5R)-2-(5-methylthiophen-2-yl)-7-(pyridine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 97374147) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is (5R)-2-(5-methylthiophen-2-yl)-7-(pyridine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name(5R)-2-(5-methylthiophen-2-yl)-7-(pyridine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID97374147
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name(5R)-2-(5-methylthiophen-2-yl)-7-(pyridine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1ccc(N2C[C@]3(CCN(C(=O)c4ccccn4)C3)CC2=O)s1
InChIInChI=1S/C18H19N3O2S/c1-13-5-6-16(24-13)21-12-18(10-15(21)22)7-9-20(11-18)17(23)14-4-2-3-8-19-14/h2-6,8H,7,9-12H2,1H3/t18-/m1/s1
InChIKeyJBJALBJFZOLYJS-GOSISDBHSA-N
XLogP2.72
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(pyridine-2-carbonyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 131653472
2-azaspiro[5.5]undecan-2-yl(pyridin-2-yl)methanone
CID 127305942
(5S)-N-methyl-3-oxo-7-(pyridine-2-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97398896
formic acid;8-(pyridine-2-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 155826391
7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131659854
7-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 171696458
7-(1-methylpyrrole-2-carbonyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155863162
6-methyl-9-phenyl-2-(pyridine-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 171696056
7-(furan-2-carbonyl)-2-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155850204
7-(6-chloropyridine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131690695
(5S)-2-(4-methylphenyl)-7-(5-methyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 97398955
2,6-diazaspiro[3.3]heptan-2-yl(pyridin-2-yl)methanone
CID 166159425

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(5-methylthiophen-2-yl)-7-(pyridine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of (5R)-2-(5-methylthiophen-2-yl)-7-(pyridine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one (CID 97374147) is (5R)-2-(5-methylthiophen-2-yl)-7-(pyridine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for (5R)-2-(5-methylthiophen-2-yl)-7-(pyridine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for (5R)-2-(5-methylthiophen-2-yl)-7-(pyridine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one is Cc1ccc(N2C[C@]3(CCN(C(=O)c4ccccn4)C3)CC2=O)s1.
What is the InChIKey of (5R)-2-(5-methylthiophen-2-yl)-7-(pyridine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is JBJALBJFZOLYJS-GOSISDBHSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-13-5-6-16(24-13)21-12-18(10-15(21)22)7-9-20(11-18)17(23)14-4-2-3-8-19-14/h2-6,8H,7,9-12H2,1H3/t18-/m1/s1.
What are the key properties of (5R)-2-(5-methylthiophen-2-yl)-7-(pyridine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one?
(5R)-2-(5-methylthiophen-2-yl)-7-(pyridine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 341.44 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(5-methylthiophen-2-yl)-7-(pyridine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 97374147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).