8-(5-cyano-4-methyl-6-oxo-1H-pyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C18H22N4O4 — CID 72912624

IUPAC8-(5-cyano-4-methyl-6-oxo-1H-pyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCc1c(C(=O)N2CCC3(CC2)CC(C(=O)O)N(C)C3)c[nH]c(=O)c1C#N
InChIInChI=1S/C18H22N4O4/c1-11-12(8-19)15(23)20-9-13(11)16(24)22-5-3-18(4-6-22)7-14(17(25)26)21(2)10-18/h9,14H,3-7,10H2,1-2H3,(H,20,23)(H,25,26)
InChIKeyWZXOWBYBJLFDCU-UHFFFAOYSA-N
MW358.40 g/mol
LogP0.57
Rot. Bonds2

About 8-(5-cyano-4-methyl-6-oxo-1H-pyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-(5-cyano-4-methyl-6-oxo-1H-pyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 72912624) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 8-(5-cyano-4-methyl-6-oxo-1H-pyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-(5-cyano-4-methyl-6-oxo-1H-pyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID72912624
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name8-(5-cyano-4-methyl-6-oxo-1H-pyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCc1c(C(=O)N2CCC3(CC2)CC(C(=O)O)N(C)C3)c[nH]c(=O)c1C#N
InChIInChI=1S/C18H22N4O4/c1-11-12(8-19)15(23)20-9-13(11)16(24)22-5-3-18(4-6-22)7-14(17(25)26)21(2)10-18/h9,14H,3-7,10H2,1-2H3,(H,20,23)(H,25,26)
InChIKeyWZXOWBYBJLFDCU-UHFFFAOYSA-N
XLogP0.57
TPSA117.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(5-cyano-4-methyl-6-oxo-1H-pyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-(5-cyano-4-methyl-6-oxo-1H-pyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 72912624) is 8-(5-cyano-4-methyl-6-oxo-1H-pyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-(5-cyano-4-methyl-6-oxo-1H-pyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-(5-cyano-4-methyl-6-oxo-1H-pyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is Cc1c(C(=O)N2CCC3(CC2)CC(C(=O)O)N(C)C3)c[nH]c(=O)c1C#N.
What is the InChIKey of 8-(5-cyano-4-methyl-6-oxo-1H-pyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is WZXOWBYBJLFDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-11-12(8-19)15(23)20-9-13(11)16(24)22-5-3-18(4-6-22)7-14(17(25)26)21(2)10-18/h9,14H,3-7,10H2,1-2H3,(H,20,23)(H,25,26).
What are the key properties of 8-(5-cyano-4-methyl-6-oxo-1H-pyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-(5-cyano-4-methyl-6-oxo-1H-pyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 358.40 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-cyano-4-methyl-6-oxo-1H-pyridine-3-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 72912624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).