2-(3,4-diethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide

C19H23N3O3 — CID 25237316

IUPAC2-(3,4-diethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide
SMILESCCOc1ccc(CC(=O)N/N=C(\C)c2cccnc2)cc1OCC
InChIInChI=1S/C19H23N3O3/c1-4-24-17-9-8-15(11-18(17)25-5-2)12-19(23)22-21-14(3)16-7-6-10-20-13-16/h6-11,13H,4-5,12H2,1-3H3,(H,22,23)/b21-14+
InChIKeyQXGMPXNHOULYQT-KGENOOAVSA-N
MW341.41 g/mol
LogP2.96
Rot. Bonds8

About 2-(3,4-diethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide

2-(3,4-diethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide (PubChem CID 25237316) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-(3,4-diethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,4-diethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide
PubChem CID25237316
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-(3,4-diethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide
SMILESCCOc1ccc(CC(=O)N/N=C(\C)c2cccnc2)cc1OCC
InChIInChI=1S/C19H23N3O3/c1-4-24-17-9-8-15(11-18(17)25-5-2)12-19(23)22-21-14(3)16-7-6-10-20-13-16/h6-11,13H,4-5,12H2,1-3H3,(H,22,23)/b21-14+
InChIKeyQXGMPXNHOULYQT-KGENOOAVSA-N
XLogP2.96
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide?
The IUPAC name of 2-(3,4-diethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide (CID 25237316) is 2-(3,4-diethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide.
What is the SMILES notation for 2-(3,4-diethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide?
The canonical SMILES for 2-(3,4-diethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide is CCOc1ccc(CC(=O)N/N=C(\C)c2cccnc2)cc1OCC.
What is the InChIKey of 2-(3,4-diethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide?
The InChIKey is QXGMPXNHOULYQT-KGENOOAVSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-4-24-17-9-8-15(11-18(17)25-5-2)12-19(23)22-21-14(3)16-7-6-10-20-13-16/h6-11,13H,4-5,12H2,1-3H3,(H,22,23)/b21-14+.
What are the key properties of 2-(3,4-diethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide?
2-(3,4-diethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide has a molecular weight of 341.41 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide is sourced from PubChem (CID 25237316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).