N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(3-fluorooxan-4-yl)amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzamide

C35H41FN4O5 — CID 155147162

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(3-fluorooxan-4-yl)amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(3-fluorooxan-4-yl)amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzamide (PubChem CID 155147162) has the molecular formula C35H41FN4O5 and a molecular weight of 616.73 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(3-fluorooxan-4-yl)amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzamide.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(3-fluorooxan-4-yl)amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzamide
• PubChem CID: 155147162
• Molecular Formula: C35H41FN4O5
• Molecular Weight: 616.73 g/mol
• Exact Mass: 616.31
• IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(3-fluorooxan-4-yl)amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzamide
• SMILES: CCN(c1cc(-c2ccc3c(c2)NC(=O)C32CCOCC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1F
• InChI: InChI=1S/C35H41FN4O5/c1-5-40(30-8-11-45-19-28(30)36)31-17-24(23-6-7-27-29(16-23)39-34(43)35(27)9-12-44-13-10-35)15-25(22(31)4)32(41)37-18-26-20(2)14-21(3)38-33(26)42/h6-7,14-17,28,30H,5,8-13,18-19H2,1-4H3,(H,37,41)(H,38,42)(H,39,43)
• InChIKey: YJPQFDROLAGKCL-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 112.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	616.73
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	3
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]-3-[ethyl-(3-fluorooxan-4-yl)amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzamide?

The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(3-fluorooxan-4-yl)amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzamide (CID 155147162) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(3-fluorooxan-4-yl)amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzamide.

What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(3-fluorooxan-4-yl)amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzamide?

The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(3-fluorooxan-4-yl)amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzamide is CCN(c1cc(-c2ccc3c(c2)NC(=O)C32CCOCC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1F.

What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(3-fluorooxan-4-yl)amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzamide?

The InChIKey is YJPQFDROLAGKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41FN4O5/c1-5-40(30-8-11-45-19-28(30)36)31-17-24(23-6-7-27-29(16-23)39-34(43)35(27)9-12-44-13-10-35)15-25(22(31)4)32(41)37-18-26-20(2)14-21(3)38-33(26)42/h6-7,14-17,28,30H,5,8-13,18-19H2,1-4H3,(H,37,41)(H,38,42)(H,39,43).

What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(3-fluorooxan-4-yl)amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzamide?

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(3-fluorooxan-4-yl)amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzamide has a molecular weight of 616.73 g/mol, XLogP of 4.85, 7 rotatable bonds, 3 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]-3-[ethyl-(3-fluorooxan-4-yl)amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzamide is sourced from PubChem (CID 155147162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).