N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-spiro[1,2-dihydroindole-3,4'-oxane]-6-ylbenzamide

C35H44N4O4 — CID 155153105

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-spiro[1,2-dihydroindole-3,4'-oxane]-6-ylbenzamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-spiro[1,2-dihydroindole-3,4'-oxane]-6-ylbenzamide (PubChem CID 155153105) has the molecular formula C35H44N4O4 and a molecular weight of 584.76 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-spiro[1,2-dihydroindole-3,4'-oxane]-6-ylbenzamide.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-spiro[1,2-dihydroindole-3,4'-oxane]-6-ylbenzamide
• PubChem CID: 155153105
• Molecular Formula: C35H44N4O4
• Molecular Weight: 584.76 g/mol
• Exact Mass: 584.34
• IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-spiro[1,2-dihydroindole-3,4'-oxane]-6-ylbenzamide
• SMILES: CCN(c1cc(-c2ccc3c(c2)NCC32CCOCC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
• InChI: InChI=1S/C35H44N4O4/c1-5-39(27-8-12-42-13-9-27)32-19-26(25-6-7-30-31(18-25)37-21-35(30)10-14-43-15-11-35)17-28(24(32)4)33(40)36-20-29-22(2)16-23(3)38-34(29)41/h6-7,16-19,27,37H,5,8-15,20-21H2,1-4H3,(H,36,40)(H,38,41)
• InChIKey: CBDYNNAZJYUKEX-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 95.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.76
LogP ≤ 5	5.38
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(oxan-4-yl)amino]-2-methyl-5-spiro[1,2-dihydroindole-3,4'-oxane]-6-ylbenzamide?

The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-spiro[1,2-dihydroindole-3,4'-oxane]-6-ylbenzamide (CID 155153105) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-spiro[1,2-dihydroindole-3,4'-oxane]-6-ylbenzamide.

What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-spiro[1,2-dihydroindole-3,4'-oxane]-6-ylbenzamide?

The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-spiro[1,2-dihydroindole-3,4'-oxane]-6-ylbenzamide is CCN(c1cc(-c2ccc3c(c2)NCC32CCOCC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1.

What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-spiro[1,2-dihydroindole-3,4'-oxane]-6-ylbenzamide?

The InChIKey is CBDYNNAZJYUKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H44N4O4/c1-5-39(27-8-12-42-13-9-27)32-19-26(25-6-7-30-31(18-25)37-21-35(30)10-14-43-15-11-35)17-28(24(32)4)33(40)36-20-29-22(2)16-23(3)38-34(29)41/h6-7,16-19,27,37H,5,8-15,20-21H2,1-4H3,(H,36,40)(H,38,41).

What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-spiro[1,2-dihydroindole-3,4'-oxane]-6-ylbenzamide?

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-spiro[1,2-dihydroindole-3,4'-oxane]-6-ylbenzamide has a molecular weight of 584.76 g/mol, XLogP of 5.38, 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(oxan-4-yl)amino]-2-methyl-5-spiro[1,2-dihydroindole-3,4'-oxane]-6-ylbenzamide is sourced from PubChem (CID 155153105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).