N-[4-(dimethylamino)phenyl]-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide

C35H35N5O7 — CID 4319041

About N-[4-(dimethylamino)phenyl]-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide

N-[4-(dimethylamino)phenyl]-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 4319041) has the molecular formula C35H35N5O7 and a molecular weight of 637.69 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

• Compound Name: N-[4-(dimethylamino)phenyl]-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide
• PubChem CID: 4319041
• Molecular Formula: C35H35N5O7
• Molecular Weight: 637.69 g/mol
• Exact Mass: 637.25
• IUPAC Name: N-[4-(dimethylamino)phenyl]-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide
• SMILES: COc1cc(C(C(=O)Nc2ccc(N(C)C)cc2)N(Cc2cccnc2)C(=O)CN2C(=O)C(=O)c3ccccc32)cc(OC)c1OC
• InChI: InChI=1S/C35H35N5O7/c1-38(2)25-14-12-24(13-15-25)37-34(43)31(23-17-28(45-3)33(47-5)29(18-23)46-4)40(20-22-9-8-16-36-19-22)30(41)21-39-27-11-7-6-10-26(27)32(42)35(39)44/h6-19,31H,20-21H2,1-5H3,(H,37,43)
• InChIKey: BEAMIHQXHMAWHZ-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 130.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	637.69
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide?

The IUPAC name of N-[4-(dimethylamino)phenyl]-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide (CID 4319041) is N-[4-(dimethylamino)phenyl]-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide.

What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide?

The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(C(C(=O)Nc2ccc(N(C)C)cc2)N(Cc2cccnc2)C(=O)CN2C(=O)C(=O)c3ccccc32)cc(OC)c1OC.

What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide?

The InChIKey is BEAMIHQXHMAWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35N5O7/c1-38(2)25-14-12-24(13-15-25)37-34(43)31(23-17-28(45-3)33(47-5)29(18-23)46-4)40(20-22-9-8-16-36-19-22)30(41)21-39-27-11-7-6-10-26(27)32(42)35(39)44/h6-19,31H,20-21H2,1-5H3,(H,37,43).

What are the key properties of N-[4-(dimethylamino)phenyl]-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide?

N-[4-(dimethylamino)phenyl]-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 637.69 g/mol, XLogP of 4.11, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(dimethylamino)phenyl]-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 4319041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).