3-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one

C17H23N3O3 — CID 56703285

IUPAC3-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one
SMILESCc1ccc(C(=O)N2CCC3(CCNC(=O)CC3)CC2)c(=O)[nH]1
InChIInChI=1S/C17H23N3O3/c1-12-2-3-13(15(22)19-12)16(23)20-10-7-17(8-11-20)5-4-14(21)18-9-6-17/h2-3H,4-11H2,1H3,(H,18,21)(H,19,22)
InChIKeyQOESFZCNYAIUAJ-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.21
Rot. Bonds1

About 3-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one

3-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one (PubChem CID 56703285) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name3-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one
PubChem CID56703285
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name3-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one
SMILESCc1ccc(C(=O)N2CCC3(CCNC(=O)CC3)CC2)c(=O)[nH]1
InChIInChI=1S/C17H23N3O3/c1-12-2-3-13(15(22)19-12)16(23)20-10-7-17(8-11-20)5-4-14(21)18-9-6-17/h2-3H,4-11H2,1H3,(H,18,21)(H,19,22)
InChIKeyQOESFZCNYAIUAJ-UHFFFAOYSA-N
XLogP1.21
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one?
The IUPAC name of 3-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one (CID 56703285) is 3-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 3-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 3-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one is Cc1ccc(C(=O)N2CCC3(CCNC(=O)CC3)CC2)c(=O)[nH]1.
What is the InChIKey of 3-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one?
The InChIKey is QOESFZCNYAIUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12-2-3-13(15(22)19-12)16(23)20-10-7-17(8-11-20)5-4-14(21)18-9-6-17/h2-3H,4-11H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 3-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one?
3-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one has a molecular weight of 317.39 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 56703285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).