2,4-dihydroxy-N-[(E)-1-pyridin-3-ylethylideneamino]benzamide

C14H13N3O3 — CID 5335669

IUPAC2,4-dihydroxy-N-[(E)-1-pyridin-3-ylethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccc(O)cc1O)c1cccnc1
InChIInChI=1S/C14H13N3O3/c1-9(10-3-2-6-15-8-10)16-17-14(20)12-5-4-11(18)7-13(12)19/h2-8,18-19H,1H3,(H,17,20)/b16-9+
InChIKeyRFKYZRQYDXRWIS-CXUHLZMHSA-N
MW271.28 g/mol
LogP1.65
Rot. Bonds3

About 2,4-dihydroxy-N-[(E)-1-pyridin-3-ylethylideneamino]benzamide

2,4-dihydroxy-N-[(E)-1-pyridin-3-ylethylideneamino]benzamide (PubChem CID 5335669) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2,4-dihydroxy-N-[(E)-1-pyridin-3-ylethylideneamino]benzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-[(E)-1-pyridin-3-ylethylideneamino]benzamide
PubChem CID5335669
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name2,4-dihydroxy-N-[(E)-1-pyridin-3-ylethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccc(O)cc1O)c1cccnc1
InChIInChI=1S/C14H13N3O3/c1-9(10-3-2-6-15-8-10)16-17-14(20)12-5-4-11(18)7-13(12)19/h2-8,18-19H,1H3,(H,17,20)/b16-9+
InChIKeyRFKYZRQYDXRWIS-CXUHLZMHSA-N
XLogP1.65
TPSA94.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.65
H-Bond Donors ≤ 53
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 2,4-dihydroxy-N-[(E)-1-pyridin-3-ylethylideneamino]benzamide?
The IUPAC name of 2,4-dihydroxy-N-[(E)-1-pyridin-3-ylethylideneamino]benzamide (CID 5335669) is 2,4-dihydroxy-N-[(E)-1-pyridin-3-ylethylideneamino]benzamide.
What is the SMILES notation for 2,4-dihydroxy-N-[(E)-1-pyridin-3-ylethylideneamino]benzamide?
The canonical SMILES for 2,4-dihydroxy-N-[(E)-1-pyridin-3-ylethylideneamino]benzamide is C/C(=N\NC(=O)c1ccc(O)cc1O)c1cccnc1.
What is the InChIKey of 2,4-dihydroxy-N-[(E)-1-pyridin-3-ylethylideneamino]benzamide?
The InChIKey is RFKYZRQYDXRWIS-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-9(10-3-2-6-15-8-10)16-17-14(20)12-5-4-11(18)7-13(12)19/h2-8,18-19H,1H3,(H,17,20)/b16-9+.
What are the key properties of 2,4-dihydroxy-N-[(E)-1-pyridin-3-ylethylideneamino]benzamide?
2,4-dihydroxy-N-[(E)-1-pyridin-3-ylethylideneamino]benzamide has a molecular weight of 271.28 g/mol, XLogP of 1.65, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-[(E)-1-pyridin-3-ylethylideneamino]benzamide is sourced from PubChem (CID 5335669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).