N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide

C15H14N4O3 — CID 137122638

IUPACN'-[(Z)-(2-hydroxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
SMILESO=C(NCc1ccncc1)C(=O)N/N=C\c1ccccc1O
InChIInChI=1S/C15H14N4O3/c20-13-4-2-1-3-12(13)10-18-19-15(22)14(21)17-9-11-5-7-16-8-6-11/h1-8,10,20H,9H2,(H,17,21)(H,19,22)/b18-10-
InChIKeyIAZJOXHADZINRI-ZDLGFXPLSA-N
MW298.30 g/mol
LogP0.55
Rot. Bonds4

About N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide

N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide (PubChem CID 137122638) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-(2-hydroxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
PubChem CID137122638
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC NameN'-[(Z)-(2-hydroxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
SMILESO=C(NCc1ccncc1)C(=O)N/N=C\c1ccccc1O
InChIInChI=1S/C15H14N4O3/c20-13-4-2-1-3-12(13)10-18-19-15(22)14(21)17-9-11-5-7-16-8-6-11/h1-8,10,20H,9H2,(H,17,21)(H,19,22)/b18-10-
InChIKeyIAZJOXHADZINRI-ZDLGFXPLSA-N
XLogP0.55
TPSA103.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 50.55
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

N'-[(Z)-(2-fluorophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
CID 126191968
N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
CID 94847411
N'-[(2-hydroxyphenyl)methylideneamino]-N-(pyridin-2-ylmethyl)oxamide
CID 2248739
N'-[(Z)-[1-(2-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
CID 94836720
N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methyloxamide
CID 135531553
N'-[(2-chlorophenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
CID 84867392
N-[(4-chlorophenyl)methyl]-N'-[(Z)-(2-methylphenyl)methylideneamino]oxamide
CID 8898840
N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
CID 94846416
N-[(4-chlorophenyl)methyl]-N'-[(2-methoxyphenyl)methylideneamino]oxamide
CID 5073412
2-[2-[(Z)-[[2-(benzylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989556
N-benzyl-N'-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]oxamide
CID 21229411
N'-(benzylideneamino)-N-[(4-chlorophenyl)methyl]oxamide
CID 2244358

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide?
The IUPAC name of N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide (CID 137122638) is N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide.
What is the SMILES notation for N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide?
The canonical SMILES for N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide is O=C(NCc1ccncc1)C(=O)N/N=C\c1ccccc1O.
What is the InChIKey of N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide?
The InChIKey is IAZJOXHADZINRI-ZDLGFXPLSA-N. The full InChI is InChI=1S/C15H14N4O3/c20-13-4-2-1-3-12(13)10-18-19-15(22)14(21)17-9-11-5-7-16-8-6-11/h1-8,10,20H,9H2,(H,17,21)(H,19,22)/b18-10-.
What are the key properties of N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide?
N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide has a molecular weight of 298.30 g/mol, XLogP of 0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide is sourced from PubChem (CID 137122638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).