N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[2-(hydroxymethyl)-1-azaspiro[5.9]pentadecan-5-yl]-2-methyl-3-[methyl(oxan-4-yl)amino]benzamide

C37H56N4O4 — CID 126487171

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[2-(hydroxymethyl)-1-azaspiro[5.9]pentadecan-5-yl]-2-methyl-3-[methyl(oxan-4-yl)amino]benzamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[2-(hydroxymethyl)-1-azaspiro[5.9]pentadecan-5-yl]-2-methyl-3-[methyl(oxan-4-yl)amino]benzamide (PubChem CID 126487171) has the molecular formula C37H56N4O4 and a molecular weight of 620.88 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[2-(hydroxymethyl)-1-azaspiro[5.9]pentadecan-5-yl]-2-methyl-3-[methyl(oxan-4-yl)amino]benzamide.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[2-(hydroxymethyl)-1-azaspiro[5.9]pentadecan-5-yl]-2-methyl-3-[methyl(oxan-4-yl)amino]benzamide
• PubChem CID: 126487171
• Molecular Formula: C37H56N4O4
• Molecular Weight: 620.88 g/mol
• Exact Mass: 620.43
• IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[2-(hydroxymethyl)-1-azaspiro[5.9]pentadecan-5-yl]-2-methyl-3-[methyl(oxan-4-yl)amino]benzamide
• SMILES: Cc1cc(C)c(CNC(=O)c2cc(C3CCC(CO)NC34CCCCCCCCC4)cc(N(C)C3CCOCC3)c2C)c(=O)[nH]1
• InChI: InChI=1S/C37H56N4O4/c1-25-20-26(2)39-36(44)32(25)23-38-35(43)31-21-28(22-34(27(31)3)41(4)30-14-18-45-19-15-30)33-13-12-29(24-42)40-37(33)16-10-8-6-5-7-9-11-17-37/h20-22,29-30,33,40,42H,5-19,23-24H2,1-4H3,(H,38,43)(H,39,44)
• InChIKey: KRTMQQLMZXKYAY-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 106.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	620.88
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[2-(hydroxymethyl)-1-azaspiro[5.9]pentadecan-5-yl]-2-methyl-3-[methyl(oxan-4-yl)amino]benzamide?

The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[2-(hydroxymethyl)-1-azaspiro[5.9]pentadecan-5-yl]-2-methyl-3-[methyl(oxan-4-yl)amino]benzamide (CID 126487171) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[2-(hydroxymethyl)-1-azaspiro[5.9]pentadecan-5-yl]-2-methyl-3-[methyl(oxan-4-yl)amino]benzamide.

What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[2-(hydroxymethyl)-1-azaspiro[5.9]pentadecan-5-yl]-2-methyl-3-[methyl(oxan-4-yl)amino]benzamide?

The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[2-(hydroxymethyl)-1-azaspiro[5.9]pentadecan-5-yl]-2-methyl-3-[methyl(oxan-4-yl)amino]benzamide is Cc1cc(C)c(CNC(=O)c2cc(C3CCC(CO)NC34CCCCCCCCC4)cc(N(C)C3CCOCC3)c2C)c(=O)[nH]1.

What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[2-(hydroxymethyl)-1-azaspiro[5.9]pentadecan-5-yl]-2-methyl-3-[methyl(oxan-4-yl)amino]benzamide?

The InChIKey is KRTMQQLMZXKYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H56N4O4/c1-25-20-26(2)39-36(44)32(25)23-38-35(43)31-21-28(22-34(27(31)3)41(4)30-14-18-45-19-15-30)33-13-12-29(24-42)40-37(33)16-10-8-6-5-7-9-11-17-37/h20-22,29-30,33,40,42H,5-19,23-24H2,1-4H3,(H,38,43)(H,39,44).

What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[2-(hydroxymethyl)-1-azaspiro[5.9]pentadecan-5-yl]-2-methyl-3-[methyl(oxan-4-yl)amino]benzamide?

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[2-(hydroxymethyl)-1-azaspiro[5.9]pentadecan-5-yl]-2-methyl-3-[methyl(oxan-4-yl)amino]benzamide has a molecular weight of 620.88 g/mol, XLogP of 5.94, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[2-(hydroxymethyl)-1-azaspiro[5.9]pentadecan-5-yl]-2-methyl-3-[methyl(oxan-4-yl)amino]benzamide is sourced from PubChem (CID 126487171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).