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

C15H15N3O2 — CID 25237312

IUPAC2-(4-hydroxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide
SMILESC/C(=N\NC(=O)Cc1ccc(O)cc1)c1cccnc1
InChIInChI=1S/C15H15N3O2/c1-11(13-3-2-8-16-10-13)17-18-15(20)9-12-4-6-14(19)7-5-12/h2-8,10,19H,9H2,1H3,(H,18,20)/b17-11+
InChIKeyIFKDMVSKPZBAQX-GZTJUZNOSA-N
MW269.30 g/mol
LogP1.87
Rot. Bonds4

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

2-(4-hydroxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide (PubChem CID 25237312) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide
PubChem CID25237312
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-(4-hydroxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide
SMILESC/C(=N\NC(=O)Cc1ccc(O)cc1)c1cccnc1
InChIInChI=1S/C15H15N3O2/c1-11(13-3-2-8-16-10-13)17-18-15(20)9-12-4-6-14(19)7-5-12/h2-8,10,19H,9H2,1H3,(H,18,20)/b17-11+
InChIKeyIFKDMVSKPZBAQX-GZTJUZNOSA-N
XLogP1.87
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

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1-(5-hydroxy-3-methyl-5-pyridin-3-yl-4H-pyrazol-1-yl)-2-phenylethanone
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N'-[1-(2-hydroxyphenyl)ethylidene]isonicotinohydrazide
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Acroteben
CID 5351737
Nsc51353
CID 242591
CA standard inhibitor, 2
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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide?
The IUPAC name of 2-(4-hydroxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide (CID 25237312) is 2-(4-hydroxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide?
The canonical SMILES for 2-(4-hydroxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide is C/C(=N\NC(=O)Cc1ccc(O)cc1)c1cccnc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide?
The InChIKey is IFKDMVSKPZBAQX-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-11(13-3-2-8-16-10-13)17-18-15(20)9-12-4-6-14(19)7-5-12/h2-8,10,19H,9H2,1H3,(H,18,20)/b17-11+.
What are the key properties of 2-(4-hydroxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide?
2-(4-hydroxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide has a molecular weight of 269.30 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide is sourced from PubChem (CID 25237312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).