6-[benzyl(ethyl)amino]-N-(2-phenoxyethyl)-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide

C32H35N3O5 — CID 25218732

IUPAC6-[benzyl(ethyl)amino]-N-(2-phenoxyethyl)-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
SMILESCCN(Cc1ccccc1)c1ccc(C(=O)NCCOc2ccccc2)c(-c2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C32H35N3O5/c1-5-35(22-23-12-8-6-9-13-23)29-17-16-26(32(36)33-18-19-40-25-14-10-7-11-15-25)30(34-29)24-20-27(37-2)31(39-4)28(21-24)38-3/h6-17,20-21H,5,18-19,22H2,1-4H3,(H,33,36)
InChIKeyGTLDSUZUODVBJX-UHFFFAOYSA-N
MW541.65 g/mol
LogP5.61
Rot. Bonds13

About 6-[benzyl(ethyl)amino]-N-(2-phenoxyethyl)-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide

6-[benzyl(ethyl)amino]-N-(2-phenoxyethyl)-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide (PubChem CID 25218732) has the molecular formula C32H35N3O5 and a molecular weight of 541.65 g/mol. Its IUPAC name is 6-[benzyl(ethyl)amino]-N-(2-phenoxyethyl)-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[benzyl(ethyl)amino]-N-(2-phenoxyethyl)-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
PubChem CID25218732
Molecular FormulaC32H35N3O5
Molecular Weight541.65 g/mol
Exact Mass541.26
IUPAC Name6-[benzyl(ethyl)amino]-N-(2-phenoxyethyl)-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
SMILESCCN(Cc1ccccc1)c1ccc(C(=O)NCCOc2ccccc2)c(-c2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C32H35N3O5/c1-5-35(22-23-12-8-6-9-13-23)29-17-16-26(32(36)33-18-19-40-25-14-10-7-11-15-25)30(34-29)24-20-27(37-2)31(39-4)28(21-24)38-3/h6-17,20-21H,5,18-19,22H2,1-4H3,(H,33,36)
InChIKeyGTLDSUZUODVBJX-UHFFFAOYSA-N
XLogP5.61
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.65
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(ethyl)amino]-N-(2-phenoxyethyl)-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-[benzyl(ethyl)amino]-N-(2-phenoxyethyl)-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide (CID 25218732) is 6-[benzyl(ethyl)amino]-N-(2-phenoxyethyl)-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[benzyl(ethyl)amino]-N-(2-phenoxyethyl)-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[benzyl(ethyl)amino]-N-(2-phenoxyethyl)-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide is CCN(Cc1ccccc1)c1ccc(C(=O)NCCOc2ccccc2)c(-c2cc(OC)c(OC)c(OC)c2)n1.
What is the InChIKey of 6-[benzyl(ethyl)amino]-N-(2-phenoxyethyl)-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is GTLDSUZUODVBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O5/c1-5-35(22-23-12-8-6-9-13-23)29-17-16-26(32(36)33-18-19-40-25-14-10-7-11-15-25)30(34-29)24-20-27(37-2)31(39-4)28(21-24)38-3/h6-17,20-21H,5,18-19,22H2,1-4H3,(H,33,36).
What are the key properties of 6-[benzyl(ethyl)amino]-N-(2-phenoxyethyl)-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
6-[benzyl(ethyl)amino]-N-(2-phenoxyethyl)-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide has a molecular weight of 541.65 g/mol, XLogP of 5.61, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(ethyl)amino]-N-(2-phenoxyethyl)-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 25218732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).