7-(6-methylpyridine-3-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one

C18H19N3O2S — CID 118743961

IUPAC7-(6-methylpyridine-3-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCc1ccc(C(=O)N2CCC3(CCN(c4ccsc4)C3=O)C2)cn1
InChIInChI=1S/C18H19N3O2S/c1-13-2-3-14(10-19-13)16(22)20-7-5-18(12-20)6-8-21(17(18)23)15-4-9-24-11-15/h2-4,9-11H,5-8,12H2,1H3
InChIKeyCSYKNLMRRPHMDH-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.72
Rot. Bonds2

About 7-(6-methylpyridine-3-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one

7-(6-methylpyridine-3-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 118743961) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 7-(6-methylpyridine-3-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name7-(6-methylpyridine-3-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID118743961
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name7-(6-methylpyridine-3-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCc1ccc(C(=O)N2CCC3(CCN(c4ccsc4)C3=O)C2)cn1
InChIInChI=1S/C18H19N3O2S/c1-13-2-3-14(10-19-13)16(22)20-7-5-18(12-20)6-8-21(17(18)23)15-4-9-24-11-15/h2-4,9-11H,5-8,12H2,1H3
InChIKeyCSYKNLMRRPHMDH-UHFFFAOYSA-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

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CID 44452893
(2,5-Dimethylpyrrolidin-1-yl)-[3-methyl-1-(2-thiophen-3-ylethynyl)pyrrolo[1,2-a]pyrazin-7-yl]methanone
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(3,3-Difluoropyrrolidin-1-yl)-[3-methyl-1-(2-thiophen-3-ylethynyl)pyrrolo[1,2-a]pyrazin-7-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of 7-(6-methylpyridine-3-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 7-(6-methylpyridine-3-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one (CID 118743961) is 7-(6-methylpyridine-3-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 7-(6-methylpyridine-3-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 7-(6-methylpyridine-3-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one is Cc1ccc(C(=O)N2CCC3(CCN(c4ccsc4)C3=O)C2)cn1.
What is the InChIKey of 7-(6-methylpyridine-3-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is CSYKNLMRRPHMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-13-2-3-14(10-19-13)16(22)20-7-5-18(12-20)6-8-21(17(18)23)15-4-9-24-11-15/h2-4,9-11H,5-8,12H2,1H3.
What are the key properties of 7-(6-methylpyridine-3-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one?
7-(6-methylpyridine-3-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-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 7-(6-methylpyridine-3-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 118743961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).