N-[(3R)-8-[(3,5-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-2-carboxamide

C23H29N3O2 — CID 97487885

About N-[(3R)-8-[(3,5-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-2-carboxamide

N-[(3R)-8-[(3,5-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-2-carboxamide (PubChem CID 97487885) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[(3R)-8-[(3,5-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(3R)-8-[(3,5-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-2-carboxamide
• PubChem CID: 97487885
• Molecular Formula: C23H29N3O2
• Molecular Weight: 379.50 g/mol
• Exact Mass: 379.23
• IUPAC Name: N-[(3R)-8-[(3,5-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-2-carboxamide
• SMILES: Cc1cc(C)cc(CN2CCC3(CC2)C[C@@H](NC(=O)c2ccccn2)CO3)c1
• InChI: InChI=1S/C23H29N3O2/c1-17-11-18(2)13-19(12-17)15-26-9-6-23(7-10-26)14-20(16-28-23)25-22(27)21-5-3-4-8-24-21/h3-5,8,11-13,20H,6-7,9-10,14-16H2,1-2H3,(H,25,27)/t20-/m1/s1
• InChIKey: KRTGXGLFLMMGCL-HXUWFJFHSA-N
• XLogP: 3.25
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.50
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-8-[(3,5-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-2-carboxamide?

The IUPAC name of N-[(3R)-8-[(3,5-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-2-carboxamide (CID 97487885) is N-[(3R)-8-[(3,5-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-[(3R)-8-[(3,5-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-2-carboxamide?

The canonical SMILES for N-[(3R)-8-[(3,5-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-2-carboxamide is Cc1cc(C)cc(CN2CCC3(CC2)C[C@@H](NC(=O)c2ccccn2)CO3)c1.

What is the InChIKey of N-[(3R)-8-[(3,5-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-2-carboxamide?

The InChIKey is KRTGXGLFLMMGCL-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17-11-18(2)13-19(12-17)15-26-9-6-23(7-10-26)14-20(16-28-23)25-22(27)21-5-3-4-8-24-21/h3-5,8,11-13,20H,6-7,9-10,14-16H2,1-2H3,(H,25,27)/t20-/m1/s1.

What are the key properties of N-[(3R)-8-[(3,5-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-2-carboxamide?

N-[(3R)-8-[(3,5-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-2-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-8-[(3,5-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 97487885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).