6-methyl-2-(pyridine-4-carbonyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one

C19H21N5O2 — CID 134070557

About 6-methyl-2-(pyridine-4-carbonyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one

6-methyl-2-(pyridine-4-carbonyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 134070557) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 6-methyl-2-(pyridine-4-carbonyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

• Compound Name: 6-methyl-2-(pyridine-4-carbonyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
• PubChem CID: 134070557
• Molecular Formula: C19H21N5O2
• Molecular Weight: 351.41 g/mol
• Exact Mass: 351.17
• IUPAC Name: 6-methyl-2-(pyridine-4-carbonyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
• SMILES: CN1CC(=O)N(c2cccnc2)CC12CCN(C(=O)c1ccncc1)C2
• InChI: InChI=1S/C19H21N5O2/c1-22-12-17(25)24(16-3-2-7-21-11-16)14-19(22)6-10-23(13-19)18(26)15-4-8-20-9-5-15/h2-5,7-9,11H,6,10,12-14H2,1H3
• InChIKey: LHEOCLKBILILIE-UHFFFAOYSA-N
• XLogP: 1.04
• TPSA: 69.64 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.41
LogP ≤ 5	1.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(pyridine-4-carbonyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one?

The IUPAC name of 6-methyl-2-(pyridine-4-carbonyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one (CID 134070557) is 6-methyl-2-(pyridine-4-carbonyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one.

What is the SMILES notation for 6-methyl-2-(pyridine-4-carbonyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one?

The canonical SMILES for 6-methyl-2-(pyridine-4-carbonyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one is CN1CC(=O)N(c2cccnc2)CC12CCN(C(=O)c1ccncc1)C2.

What is the InChIKey of 6-methyl-2-(pyridine-4-carbonyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one?

The InChIKey is LHEOCLKBILILIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-22-12-17(25)24(16-3-2-7-21-11-16)14-19(22)6-10-23(13-19)18(26)15-4-8-20-9-5-15/h2-5,7-9,11H,6,10,12-14H2,1H3.

What are the key properties of 6-methyl-2-(pyridine-4-carbonyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one?

6-methyl-2-(pyridine-4-carbonyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 351.41 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-2-(pyridine-4-carbonyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 134070557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).