8-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C18H25N3O4 — CID 72898887

IUPAC8-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCc1cc(=O)c(C(=O)N2CCC3(CC2)CC(C(=O)O)N(C)C3)c(C)[nH]1
InChIInChI=1S/C18H25N3O4/c1-11-8-14(22)15(12(2)19-11)16(23)21-6-4-18(5-7-21)9-13(17(24)25)20(3)10-18/h8,13H,4-7,9-10H2,1-3H3,(H,19,22)(H,24,25)
InChIKeyWTFILSWVMSSYOX-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.00
Rot. Bonds2

About 8-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 72898887) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 8-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID72898887
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name8-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCc1cc(=O)c(C(=O)N2CCC3(CC2)CC(C(=O)O)N(C)C3)c(C)[nH]1
InChIInChI=1S/C18H25N3O4/c1-11-8-14(22)15(12(2)19-11)16(23)21-6-4-18(5-7-21)9-13(17(24)25)20(3)10-18/h8,13H,4-7,9-10H2,1-3H3,(H,19,22)(H,24,25)
InChIKeyWTFILSWVMSSYOX-UHFFFAOYSA-N
XLogP1.00
TPSA93.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 72898887) is 8-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is Cc1cc(=O)c(C(=O)N2CCC3(CC2)CC(C(=O)O)N(C)C3)c(C)[nH]1.
What is the InChIKey of 8-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is WTFILSWVMSSYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-11-8-14(22)15(12(2)19-11)16(23)21-6-4-18(5-7-21)9-13(17(24)25)20(3)10-18/h8,13H,4-7,9-10H2,1-3H3,(H,19,22)(H,24,25).
What are the key properties of 8-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 347.42 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 72898887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).