N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide

C13H11N3O3 — CID 2643236

IUPACN'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
SMILESNC(=O)C(=O)NN=Cc1c(O)ccc2ccccc12
InChIInChI=1S/C13H11N3O3/c14-12(18)13(19)16-15-7-10-9-4-2-1-3-8(9)5-6-11(10)17/h1-7,17H,(H2,14,18)(H,16,19)
InChIKeyPMYANXVJTOZPMD-UHFFFAOYSA-N
MW257.25 g/mol
LogP0.48
Rot. Bonds2

About N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide

N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide (PubChem CID 2643236) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide.

Molecular Properties

Compound NameN'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
PubChem CID2643236
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC NameN'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
SMILESNC(=O)C(=O)NN=Cc1c(O)ccc2ccccc12
InChIInChI=1S/C13H11N3O3/c14-12(18)13(19)16-15-7-10-9-4-2-1-3-8(9)5-6-11(10)17/h1-7,17H,(H2,14,18)(H,16,19)
InChIKeyPMYANXVJTOZPMD-UHFFFAOYSA-N
XLogP0.48
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135615439
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]hexanediamide
CID 135616078
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
CID 172961658
N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-propan-2-yloxamide
CID 136764623
N-cyclopropyl-N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 3537553
methyl N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate
CID 135588910
N,N'-bis[(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide
CID 3500050
2-amino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135770382
N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 136739213
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 2218036

Frequently Asked Questions

What is the IUPAC name of N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide?
The IUPAC name of N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide (CID 2643236) is N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide.
What is the SMILES notation for N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide?
The canonical SMILES for N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide is NC(=O)C(=O)NN=Cc1c(O)ccc2ccccc12.
What is the InChIKey of N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide?
The InChIKey is PMYANXVJTOZPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c14-12(18)13(19)16-15-7-10-9-4-2-1-3-8(9)5-6-11(10)17/h1-7,17H,(H2,14,18)(H,16,19).
What are the key properties of N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide?
N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide has a molecular weight of 257.25 g/mol, XLogP of 0.48, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide is sourced from PubChem (CID 2643236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).