2,4-dihydroxy-N-(1-pyridin-2-ylethylideneamino)benzamide

C14H13N3O3 — CID 872905

IUPAC2,4-dihydroxy-N-(1-pyridin-2-ylethylideneamino)benzamide
SMILESCC(=NNC(=O)c1ccc(O)cc1O)c1ccccn1
InChIInChI=1S/C14H13N3O3/c1-9(12-4-2-3-7-15-12)16-17-14(20)11-6-5-10(18)8-13(11)19/h2-8,18-19H,1H3,(H,17,20)
InChIKeyKXAAZOQRVNKROS-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.65
Rot. Bonds3

About 2,4-dihydroxy-N-(1-pyridin-2-ylethylideneamino)benzamide

2,4-dihydroxy-N-(1-pyridin-2-ylethylideneamino)benzamide (PubChem CID 872905) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2,4-dihydroxy-N-(1-pyridin-2-ylethylideneamino)benzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-(1-pyridin-2-ylethylideneamino)benzamide
PubChem CID872905
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name2,4-dihydroxy-N-(1-pyridin-2-ylethylideneamino)benzamide
SMILESCC(=NNC(=O)c1ccc(O)cc1O)c1ccccn1
InChIInChI=1S/C14H13N3O3/c1-9(12-4-2-3-7-15-12)16-17-14(20)11-6-5-10(18)8-13(11)19/h2-8,18-19H,1H3,(H,17,20)
InChIKeyKXAAZOQRVNKROS-UHFFFAOYSA-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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Related Compounds

N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 708171
5-chloro-2-hydroxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 5416440
2-hydroxy-5-iodo-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 1352694
2-amino-N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzamide
CID 137150949
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 135554989
3,4-dichloro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 773914
N-[(Z)-[amino(pyridin-2-yl)methylidene]amino]-2-hydroxybenzamide
CID 15777277
3-bromo-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 5414676
3,5-dimethoxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 9461008
N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-2-carboxamide
CID 5402845
3-fluoro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 4180611
N-[1-(2,4-dichlorophenyl)ethylideneamino]-2,4-dihydroxybenzamide
CID 3626855

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-(1-pyridin-2-ylethylideneamino)benzamide?
The IUPAC name of 2,4-dihydroxy-N-(1-pyridin-2-ylethylideneamino)benzamide (CID 872905) is 2,4-dihydroxy-N-(1-pyridin-2-ylethylideneamino)benzamide.
What is the SMILES notation for 2,4-dihydroxy-N-(1-pyridin-2-ylethylideneamino)benzamide?
The canonical SMILES for 2,4-dihydroxy-N-(1-pyridin-2-ylethylideneamino)benzamide is CC(=NNC(=O)c1ccc(O)cc1O)c1ccccn1.
What is the InChIKey of 2,4-dihydroxy-N-(1-pyridin-2-ylethylideneamino)benzamide?
The InChIKey is KXAAZOQRVNKROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-9(12-4-2-3-7-15-12)16-17-14(20)11-6-5-10(18)8-13(11)19/h2-8,18-19H,1H3,(H,17,20).
What are the key properties of 2,4-dihydroxy-N-(1-pyridin-2-ylethylideneamino)benzamide?
2,4-dihydroxy-N-(1-pyridin-2-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-(1-pyridin-2-ylethylideneamino)benzamide is sourced from PubChem (CID 872905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).