2-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid

C19H21N5O3 — CID 70713165

About 2-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid

2-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid (PubChem CID 70713165) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid
• PubChem CID: 70713165
• Molecular Formula: C19H21N5O3
• Molecular Weight: 367.41 g/mol
• Exact Mass: 367.16
• IUPAC Name: 2-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid
• SMILES: CN1CCCC2(CCN(c3nccc(-c4cc(C(=O)O)ccn4)n3)C2)C1=O
• InChI: InChI=1S/C19H21N5O3/c1-23-9-2-5-19(17(23)27)6-10-24(12-19)18-21-8-4-14(22-18)15-11-13(16(25)26)3-7-20-15/h3-4,7-8,11H,2,5-6,9-10,12H2,1H3,(H,25,26)
• InChIKey: FAUXPLVDCRMPNX-UHFFFAOYSA-N
• XLogP: 1.69
• TPSA: 99.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.41
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid?

The IUPAC name of 2-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid (CID 70713165) is 2-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid.

What is the SMILES notation for 2-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid?

The canonical SMILES for 2-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid is CN1CCCC2(CCN(c3nccc(-c4cc(C(=O)O)ccn4)n3)C2)C1=O.

What is the InChIKey of 2-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid?

The InChIKey is FAUXPLVDCRMPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-23-9-2-5-19(17(23)27)6-10-24(12-19)18-21-8-4-14(22-18)15-11-13(16(25)26)3-7-20-15/h3-4,7-8,11H,2,5-6,9-10,12H2,1H3,(H,25,26).

What are the key properties of 2-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid?

2-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid has a molecular weight of 367.41 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 70713165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).