N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-pyridin-2-yloxamide

C14H12N4O3 — CID 135411914

IUPACN'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-pyridin-2-yloxamide
SMILESO=C(N/N=C/c1ccccc1O)C(=O)Nc1ccccn1
InChIInChI=1S/C14H12N4O3/c19-11-6-2-1-5-10(11)9-16-18-14(21)13(20)17-12-7-3-4-8-15-12/h1-9,19H,(H,18,21)(H,15,17,20)/b16-9+
InChIKeyKXYFGDQQDXQQBJ-CXUHLZMHSA-N
MW284.28 g/mol
LogP0.88
Rot. Bonds3

About N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-pyridin-2-yloxamide

N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-pyridin-2-yloxamide (PubChem CID 135411914) has the molecular formula C14H12N4O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-pyridin-2-yloxamide.

Molecular Properties

Compound NameN'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-pyridin-2-yloxamide
PubChem CID135411914
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC NameN'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-pyridin-2-yloxamide
SMILESO=C(N/N=C/c1ccccc1O)C(=O)Nc1ccccn1
InChIInChI=1S/C14H12N4O3/c19-11-6-2-1-5-10(11)9-16-18-14(21)13(20)17-12-7-3-4-8-15-12/h1-9,19H,(H,18,21)(H,15,17,20)/b16-9+
InChIKeyKXYFGDQQDXQQBJ-CXUHLZMHSA-N
XLogP0.88
TPSA103.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-{[(4-Methyl-2-pyridinyl)amino]methyl}phenol
CID 572802
2-[(E)-{[4-(pyridin-2-yl)piperazin-1-yl]imino}methyl]phenol
CID 135519103
2-Hydroxy-N-2-pyridinylbenzamide
CID 202935
4-Methyl-2-{[(pyridin-2-yl)amino]methyl}phenol
CID 649046
3-[(2-Hydroxy-benzoyl)-hydrazono]-N-pyridin-2-yl-butyramide
CID 9591327
2-[2-(2-hydroxybenzylidene)hydrazino]-2-oxo-N-(2-pyridinylmethyl)acetamide
CID 135411993
3-[(Pyridin-2-ylhydrazinylidene)methyl]phenol
CID 263872
N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide
CID 135875942
4-(((4-(2-Pyridinyl)-1-piperazinyl)imino)methyl)phenol
CID 135548528
2-(Pyridin-2-ylaminomethyl)-phenol
CID 950738
1-{2-[(2E)-2-(3-allyl-2-hydroxybenzylidene)hydrazino]-2-oxoethyl}pyridinium
CID 135576792
2-{[(3-Methylpyridin-2-yl)amino]methyl}phenol
CID 4167622

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-pyridin-2-yloxamide?
The IUPAC name of N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-pyridin-2-yloxamide (CID 135411914) is N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-pyridin-2-yloxamide.
What is the SMILES notation for N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-pyridin-2-yloxamide?
The canonical SMILES for N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-pyridin-2-yloxamide is O=C(N/N=C/c1ccccc1O)C(=O)Nc1ccccn1.
What is the InChIKey of N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-pyridin-2-yloxamide?
The InChIKey is KXYFGDQQDXQQBJ-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H12N4O3/c19-11-6-2-1-5-10(11)9-16-18-14(21)13(20)17-12-7-3-4-8-15-12/h1-9,19H,(H,18,21)(H,15,17,20)/b16-9+.
What are the key properties of N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-pyridin-2-yloxamide?
N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-pyridin-2-yloxamide has a molecular weight of 284.28 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-pyridin-2-yloxamide is sourced from PubChem (CID 135411914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).