N-(7-azaspiro[3.5]nonan-2-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide;hydrochloride

C23H30ClN3O2 — CID 172912279

About N-(7-azaspiro[3.5]nonan-2-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide;hydrochloride

N-(7-azaspiro[3.5]nonan-2-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide;hydrochloride (PubChem CID 172912279) has the molecular formula C23H30ClN3O2 and a molecular weight of 415.97 g/mol. Its IUPAC name is N-(7-azaspiro[3.5]nonan-2-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-(7-azaspiro[3.5]nonan-2-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide;hydrochloride
• PubChem CID: 172912279
• Molecular Formula: C23H30ClN3O2
• Molecular Weight: 415.97 g/mol
• Exact Mass: 415.20
• IUPAC Name: N-(7-azaspiro[3.5]nonan-2-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide;hydrochloride
• SMILES: Cc1ccn(CCc2ccccc2)c(=O)c1C(=O)NC1CC2(CCNCC2)C1.Cl
• InChI: InChI=1S/C23H29N3O2.ClH/c1-17-7-13-26(14-8-18-5-3-2-4-6-18)22(28)20(17)21(27)25-19-15-23(16-19)9-11-24-12-10-23;/h2-7,13,19,24H,8-12,14-16H2,1H3,(H,25,27);1H
• InChIKey: OKLFGFZVYFWSTR-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 63.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.97
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(7-azaspiro[3.5]nonan-2-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide;hydrochloride?

The IUPAC name of N-(7-azaspiro[3.5]nonan-2-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide;hydrochloride (CID 172912279) is N-(7-azaspiro[3.5]nonan-2-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide;hydrochloride.

What is the SMILES notation for N-(7-azaspiro[3.5]nonan-2-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide;hydrochloride?

The canonical SMILES for N-(7-azaspiro[3.5]nonan-2-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide;hydrochloride is Cc1ccn(CCc2ccccc2)c(=O)c1C(=O)NC1CC2(CCNCC2)C1.Cl.

What is the InChIKey of N-(7-azaspiro[3.5]nonan-2-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide;hydrochloride?

The InChIKey is OKLFGFZVYFWSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2.ClH/c1-17-7-13-26(14-8-18-5-3-2-4-6-18)22(28)20(17)21(27)25-19-15-23(16-19)9-11-24-12-10-23;/h2-7,13,19,24H,8-12,14-16H2,1H3,(H,25,27);1H.

What are the key properties of N-(7-azaspiro[3.5]nonan-2-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide;hydrochloride?

N-(7-azaspiro[3.5]nonan-2-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide;hydrochloride has a molecular weight of 415.97 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(7-azaspiro[3.5]nonan-2-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 172912279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).