N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylpropanamide

C19H23N3O3S — CID 20846817

IUPACN-[(E)-(3,4-diethoxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylpropanamide
SMILESCCOc1ccc(/C=N/NC(=O)C(C)Sc2ccccn2)cc1OCC
InChIInChI=1S/C19H23N3O3S/c1-4-24-16-10-9-15(12-17(16)25-5-2)13-21-22-19(23)14(3)26-18-8-6-7-11-20-18/h6-14H,4-5H2,1-3H3,(H,22,23)/b21-13+
InChIKeyLDOXHTDIAVGFMD-FYJGNVAPSA-N
MW373.48 g/mol
LogP3.51
Rot. Bonds9

About N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylpropanamide

N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylpropanamide (PubChem CID 20846817) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-[(E)-(3,4-diethoxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylpropanamide
PubChem CID20846817
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[(E)-(3,4-diethoxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylpropanamide
SMILESCCOc1ccc(/C=N/NC(=O)C(C)Sc2ccccn2)cc1OCC
InChIInChI=1S/C19H23N3O3S/c1-4-24-16-10-9-15(12-17(16)25-5-2)13-21-22-19(23)14(3)26-18-8-6-7-11-20-18/h6-14H,4-5H2,1-3H3,(H,22,23)/b21-13+
InChIKeyLDOXHTDIAVGFMD-FYJGNVAPSA-N
XLogP3.51
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylpropanamide?
The IUPAC name of N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylpropanamide (CID 20846817) is N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylpropanamide?
The canonical SMILES for N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylpropanamide is CCOc1ccc(/C=N/NC(=O)C(C)Sc2ccccn2)cc1OCC.
What is the InChIKey of N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylpropanamide?
The InChIKey is LDOXHTDIAVGFMD-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-4-24-16-10-9-15(12-17(16)25-5-2)13-21-22-19(23)14(3)26-18-8-6-7-11-20-18/h6-14H,4-5H2,1-3H3,(H,22,23)/b21-13+.
What are the key properties of N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylpropanamide?
N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylpropanamide has a molecular weight of 373.48 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylpropanamide is sourced from PubChem (CID 20846817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).