N-(2-aminophenyl)-6-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]pyridine-3-carboxamide

C30H29N3O6 — CID 175347336

About N-(2-aminophenyl)-6-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]pyridine-3-carboxamide

N-(2-aminophenyl)-6-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]pyridine-3-carboxamide (PubChem CID 175347336) has the molecular formula C30H29N3O6 and a molecular weight of 527.58 g/mol. Its IUPAC name is N-(2-aminophenyl)-6-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-aminophenyl)-6-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]pyridine-3-carboxamide
• PubChem CID: 175347336
• Molecular Formula: C30H29N3O6
• Molecular Weight: 527.58 g/mol
• Exact Mass: 527.21
• IUPAC Name: N-(2-aminophenyl)-6-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]pyridine-3-carboxamide
• SMILES: COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1Oc1ccc(C(=O)Nc2ccccc2N)cn1
• InChI: InChI=1S/C30H29N3O6/c1-35-24-13-11-19(9-10-20-16-26(36-2)29(38-4)27(17-20)37-3)15-25(24)39-28-14-12-21(18-32-28)30(34)33-23-8-6-5-7-22(23)31/h5-18H,31H2,1-4H3,(H,33,34)
• InChIKey: LTSKVFZVFFBSPP-UHFFFAOYSA-N
• XLogP: 5.91
• TPSA: 114.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.58
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-6-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]pyridine-3-carboxamide?

The IUPAC name of N-(2-aminophenyl)-6-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]pyridine-3-carboxamide (CID 175347336) is N-(2-aminophenyl)-6-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]pyridine-3-carboxamide.

What is the SMILES notation for N-(2-aminophenyl)-6-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]pyridine-3-carboxamide?

The canonical SMILES for N-(2-aminophenyl)-6-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]pyridine-3-carboxamide is COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1Oc1ccc(C(=O)Nc2ccccc2N)cn1.

What is the InChIKey of N-(2-aminophenyl)-6-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]pyridine-3-carboxamide?

The InChIKey is LTSKVFZVFFBSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O6/c1-35-24-13-11-19(9-10-20-16-26(36-2)29(38-4)27(17-20)37-3)15-25(24)39-28-14-12-21(18-32-28)30(34)33-23-8-6-5-7-22(23)31/h5-18H,31H2,1-4H3,(H,33,34).

What are the key properties of N-(2-aminophenyl)-6-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]pyridine-3-carboxamide?

N-(2-aminophenyl)-6-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 527.58 g/mol, XLogP of 5.91, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminophenyl)-6-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 175347336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).