4-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1'-methyl-2-oxospiro[1H-indole-3,4'-piperidine]-6-yl)-3-(oxan-4-ylamino)benzamide

C36H45N5O5 — CID 155698987

About 4-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1'-methyl-2-oxospiro[1H-indole-3,4'-piperidine]-6-yl)-3-(oxan-4-ylamino)benzamide

4-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1'-methyl-2-oxospiro[1H-indole-3,4'-piperidine]-6-yl)-3-(oxan-4-ylamino)benzamide (PubChem CID 155698987) has the molecular formula C36H45N5O5 and a molecular weight of 627.79 g/mol. Its IUPAC name is 4-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1'-methyl-2-oxospiro[1H-indole-3,4'-piperidine]-6-yl)-3-(oxan-4-ylamino)benzamide.

Molecular Properties

• Compound Name: 4-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1'-methyl-2-oxospiro[1H-indole-3,4'-piperidine]-6-yl)-3-(oxan-4-ylamino)benzamide
• PubChem CID: 155698987
• Molecular Formula: C36H45N5O5
• Molecular Weight: 627.79 g/mol
• Exact Mass: 627.34
• IUPAC Name: 4-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1'-methyl-2-oxospiro[1H-indole-3,4'-piperidine]-6-yl)-3-(oxan-4-ylamino)benzamide
• SMILES: CCc1c(-c2ccc3c(c2)NC(=O)C32CCN(C)CC2)cc(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c(C)c1NC1CCOCC1
• InChI: InChI=1S/C36H45N5O5/c1-6-25-27(23-7-8-29-30(18-23)40-35(44)36(29)11-13-41(4)14-12-36)19-26(22(3)32(25)39-24-9-15-46-16-10-24)33(42)37-20-28-31(45-5)17-21(2)38-34(28)43/h7-8,17-19,24,39H,6,9-16,20H2,1-5H3,(H,37,42)(H,38,43)(H,40,44)
• InChIKey: QHEJTZYERYKGPB-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 124.79 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	627.79
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1'-methyl-2-oxospiro[1H-indole-3,4'-piperidine]-6-yl)-3-(oxan-4-ylamino)benzamide?

The IUPAC name of 4-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1'-methyl-2-oxospiro[1H-indole-3,4'-piperidine]-6-yl)-3-(oxan-4-ylamino)benzamide (CID 155698987) is 4-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1'-methyl-2-oxospiro[1H-indole-3,4'-piperidine]-6-yl)-3-(oxan-4-ylamino)benzamide.

What is the SMILES notation for 4-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1'-methyl-2-oxospiro[1H-indole-3,4'-piperidine]-6-yl)-3-(oxan-4-ylamino)benzamide?

The canonical SMILES for 4-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1'-methyl-2-oxospiro[1H-indole-3,4'-piperidine]-6-yl)-3-(oxan-4-ylamino)benzamide is CCc1c(-c2ccc3c(c2)NC(=O)C32CCN(C)CC2)cc(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c(C)c1NC1CCOCC1.

What is the InChIKey of 4-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1'-methyl-2-oxospiro[1H-indole-3,4'-piperidine]-6-yl)-3-(oxan-4-ylamino)benzamide?

The InChIKey is QHEJTZYERYKGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H45N5O5/c1-6-25-27(23-7-8-29-30(18-23)40-35(44)36(29)11-13-41(4)14-12-36)19-26(22(3)32(25)39-24-9-15-46-16-10-24)33(42)37-20-28-31(45-5)17-21(2)38-34(28)43/h7-8,17-19,24,39H,6,9-16,20H2,1-5H3,(H,37,42)(H,38,43)(H,40,44).

What are the key properties of 4-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1'-methyl-2-oxospiro[1H-indole-3,4'-piperidine]-6-yl)-3-(oxan-4-ylamino)benzamide?

4-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1'-methyl-2-oxospiro[1H-indole-3,4'-piperidine]-6-yl)-3-(oxan-4-ylamino)benzamide has a molecular weight of 627.79 g/mol, XLogP of 4.67, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1'-methyl-2-oxospiro[1H-indole-3,4'-piperidine]-6-yl)-3-(oxan-4-ylamino)benzamide is sourced from PubChem (CID 155698987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).