8-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C18H25N3O4 — CID 72909157

IUPAC8-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCc1cc(C)n(C)c(=O)c1C(=O)N1CCC2(CC1)CNC(C(=O)O)C2
InChIInChI=1S/C18H25N3O4/c1-11-8-12(2)20(3)15(22)14(11)16(23)21-6-4-18(5-7-21)9-13(17(24)25)19-10-18/h8,13,19H,4-7,9-10H2,1-3H3,(H,24,25)
InChIKeyOKACZWQRJRAPTM-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.67
Rot. Bonds2

About 8-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 72909157) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 8-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID72909157
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name8-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCc1cc(C)n(C)c(=O)c1C(=O)N1CCC2(CC1)CNC(C(=O)O)C2
InChIInChI=1S/C18H25N3O4/c1-11-8-12(2)20(3)15(22)14(11)16(23)21-6-4-18(5-7-21)9-13(17(24)25)19-10-18/h8,13,19H,4-7,9-10H2,1-3H3,(H,24,25)
InChIKeyOKACZWQRJRAPTM-UHFFFAOYSA-N
XLogP0.67
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 72909157) is 8-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC2(CC1)CNC(C(=O)O)C2.
What is the InChIKey of 8-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is OKACZWQRJRAPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-11-8-12(2)20(3)15(22)14(11)16(23)21-6-4-18(5-7-21)9-13(17(24)25)19-10-18/h8,13,19H,4-7,9-10H2,1-3H3,(H,24,25).
What are the key properties of 8-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 347.42 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 72909157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).