3-hydroxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide

C17H14N2O3 — CID 6868231

IUPAC3-hydroxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide
SMILESCc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)o1
InChIInChI=1S/C17H14N2O3/c1-11-6-7-14(22-11)10-18-19-17(21)15-8-12-4-2-3-5-13(12)9-16(15)20/h2-10,20H,1H3,(H,19,21)/b18-10+
InChIKeyAIUDRIPRYSVJGT-VCHYOVAHSA-N
MW294.31 g/mol
LogP3.21
Rot. Bonds3

About 3-hydroxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide

3-hydroxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide (PubChem CID 6868231) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3-hydroxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide
PubChem CID6868231
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name3-hydroxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide
SMILESCc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)o1
InChIInChI=1S/C17H14N2O3/c1-11-6-7-14(22-11)10-18-19-17(21)15-8-12-4-2-3-5-13(12)9-16(15)20/h2-10,20H,1H3,(H,19,21)/b18-10+
InChIKeyAIUDRIPRYSVJGT-VCHYOVAHSA-N
XLogP3.21
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_acyl_naphthol(22)', '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'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]-2-methylfuran-3-carbohydrazide
CID 135549682
2-Hydroxy-1-naphthalaldehyde salicyloylhydrazone
CID 135458654
4-Methylbenzoic (2-hydroxy-1-naphthylmethylene)hydrazide
CID 135407190
N'-[(2-methoxy-1-naphthyl)methylene]-4-biphenylcarbohydrazide
CID 5332319
2-hydroxy-N-[(E)-(5-phenylfuran-2-yl)methylideneamino]benzamide
CID 6881299
N'-[(E)-(5-Methylfuran-2-YL)methylidene]naphthalene-1-carbohydrazide
CID 9612436
Benzoic acid, 2-phenoxy-, 2-[(5-methyl-2-furanyl)methylene]hydrazide
CID 9836739
N'-(3-hydroxybenzylidene)naphtho[2,1-b]furan-2-carbohydrazide
CID 9558067
Nsc-205497
CID 135491081
Pnu-74654
CID 60119583
4-tert-butyl-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 9672271
2-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135837470

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide (CID 6868231) is 3-hydroxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide is Cc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)o1.
What is the InChIKey of 3-hydroxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide?
The InChIKey is AIUDRIPRYSVJGT-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-11-6-7-14(22-11)10-18-19-17(21)15-8-12-4-2-3-5-13(12)9-16(15)20/h2-10,20H,1H3,(H,19,21)/b18-10+.
What are the key properties of 3-hydroxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide?
3-hydroxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide is sourced from PubChem (CID 6868231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).