N-[2-[(8S)-2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide

C22H27N3O2 — CID 124820925

About N-[2-[(8S)-2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide

N-[2-[(8S)-2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide (PubChem CID 124820925) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[2-[(8S)-2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(8S)-2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide
• PubChem CID: 124820925
• Molecular Formula: C22H27N3O2
• Molecular Weight: 365.48 g/mol
• Exact Mass: 365.21
• IUPAC Name: N-[2-[(8S)-2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide
• SMILES: Cc1ccccc1CN1CC2(C1)OCC[C@@H]2CCNC(=O)c1ccncc1
• InChI: InChI=1S/C22H27N3O2/c1-17-4-2-3-5-19(17)14-25-15-22(16-25)20(9-13-27-22)8-12-24-21(26)18-6-10-23-11-7-18/h2-7,10-11,20H,8-9,12-16H2,1H3,(H,24,26)/t20-/m0/s1
• InChIKey: LIIWEDWKVLUARF-FQEVSTJZSA-N
• XLogP: 2.80
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.48
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[(8S)-2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide?

The IUPAC name of N-[2-[(8S)-2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide (CID 124820925) is N-[2-[(8S)-2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide.

What is the SMILES notation for N-[2-[(8S)-2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide?

The canonical SMILES for N-[2-[(8S)-2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide is Cc1ccccc1CN1CC2(C1)OCC[C@@H]2CCNC(=O)c1ccncc1.

What is the InChIKey of N-[2-[(8S)-2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide?

The InChIKey is LIIWEDWKVLUARF-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-17-4-2-3-5-19(17)14-25-15-22(16-25)20(9-13-27-22)8-12-24-21(26)18-6-10-23-11-7-18/h2-7,10-11,20H,8-9,12-16H2,1H3,(H,24,26)/t20-/m0/s1.

What are the key properties of N-[2-[(8S)-2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide?

N-[2-[(8S)-2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(8S)-2-[(2-methylphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 124820925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).