2-(3,4-dimethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide

C16H17N3O3 — CID 25252625

IUPAC2-(3,4-dimethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
SMILESCOc1ccc(CC(=O)N/N=C/c2cccnc2)cc1OC
InChIInChI=1S/C16H17N3O3/c1-21-14-6-5-12(8-15(14)22-2)9-16(20)19-18-11-13-4-3-7-17-10-13/h3-8,10-11H,9H2,1-2H3,(H,19,20)/b18-11+
InChIKeyYAFRDFQJFYWISG-WOJGMQOQSA-N
MW299.33 g/mol
LogP1.79
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide

2-(3,4-dimethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide (PubChem CID 25252625) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
PubChem CID25252625
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
SMILESCOc1ccc(CC(=O)N/N=C/c2cccnc2)cc1OC
InChIInChI=1S/C16H17N3O3/c1-21-14-6-5-12(8-15(14)22-2)9-16(20)19-18-11-13-4-3-7-17-10-13/h3-8,10-11H,9H2,1-2H3,(H,19,20)/b18-11+
InChIKeyYAFRDFQJFYWISG-WOJGMQOQSA-N
XLogP1.79
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.79
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-dimethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide (CID 25252625) is 2-(3,4-dimethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide is COc1ccc(CC(=O)N/N=C/c2cccnc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
The InChIKey is YAFRDFQJFYWISG-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-21-14-6-5-12(8-15(14)22-2)9-16(20)19-18-11-13-4-3-7-17-10-13/h3-8,10-11H,9H2,1-2H3,(H,19,20)/b18-11+.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
2-(3,4-dimethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide has a molecular weight of 299.33 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide is sourced from PubChem (CID 25252625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).