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

C36H43FN4O5 — CID 155152883

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

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-(5-fluoro-1-methyl-2-oxospiro[indole-3,4'-oxane]-6-yl)-2-methylbenzamide (PubChem CID 155152883) has the molecular formula C36H43FN4O5 and a molecular weight of 630.76 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-(5-fluoro-1-methyl-2-oxospiro[indole-3,4'-oxane]-6-yl)-2-methylbenzamide.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-(5-fluoro-1-methyl-2-oxospiro[indole-3,4'-oxane]-6-yl)-2-methylbenzamide
• PubChem CID: 155152883
• Molecular Formula: C36H43FN4O5
• Molecular Weight: 630.76 g/mol
• Exact Mass: 630.32
• IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-(5-fluoro-1-methyl-2-oxospiro[indole-3,4'-oxane]-6-yl)-2-methylbenzamide
• SMILES: CCN(c1cc(-c2cc3c(cc2F)C2(CCOCC2)C(=O)N3C)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
• InChI: InChI=1S/C36H43FN4O5/c1-6-41(25-7-11-45-12-8-25)31-17-24(16-26(23(31)4)33(42)38-20-28-21(2)15-22(3)39-34(28)43)27-18-32-29(19-30(27)37)36(35(44)40(32)5)9-13-46-14-10-36/h15-19,25H,6-14,20H2,1-5H3,(H,38,42)(H,39,43)
• InChIKey: HKAYRBNRLQVDRY-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 103.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	630.76
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	2
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]-5-(5-fluoro-1-methyl-2-oxospiro[indole-3,4'-oxane]-6-yl)-2-methylbenzamide?

The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-(5-fluoro-1-methyl-2-oxospiro[indole-3,4'-oxane]-6-yl)-2-methylbenzamide (CID 155152883) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-(5-fluoro-1-methyl-2-oxospiro[indole-3,4'-oxane]-6-yl)-2-methylbenzamide.

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

The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-(5-fluoro-1-methyl-2-oxospiro[indole-3,4'-oxane]-6-yl)-2-methylbenzamide is CCN(c1cc(-c2cc3c(cc2F)C2(CCOCC2)C(=O)N3C)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]-5-(5-fluoro-1-methyl-2-oxospiro[indole-3,4'-oxane]-6-yl)-2-methylbenzamide?

The InChIKey is HKAYRBNRLQVDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H43FN4O5/c1-6-41(25-7-11-45-12-8-25)31-17-24(16-26(23(31)4)33(42)38-20-28-21(2)15-22(3)39-34(28)43)27-18-32-29(19-30(27)37)36(35(44)40(32)5)9-13-46-14-10-36/h15-19,25H,6-14,20H2,1-5H3,(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(oxan-4-yl)amino]-5-(5-fluoro-1-methyl-2-oxospiro[indole-3,4'-oxane]-6-yl)-2-methylbenzamide?

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-(5-fluoro-1-methyl-2-oxospiro[indole-3,4'-oxane]-6-yl)-2-methylbenzamide has a molecular weight of 630.76 g/mol, XLogP of 5.07, 7 rotatable bonds, 2 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]-5-(5-fluoro-1-methyl-2-oxospiro[indole-3,4'-oxane]-6-yl)-2-methylbenzamide is sourced from PubChem (CID 155152883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).