3-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-2-carboxamide

C18H13N3O5 — CID 3101754

IUPAC3-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
SMILESO=C(NN=Cc1cc([N+](=O)[O-])ccc1O)c1cc2ccccc2cc1O
InChIInChI=1S/C18H13N3O5/c22-16-6-5-14(21(25)26)7-13(16)10-19-20-18(24)15-8-11-3-1-2-4-12(11)9-17(15)23/h1-10,22-23H,(H,20,24)
InChIKeyYMIGQHVYPHQACE-UHFFFAOYSA-N
MW351.32 g/mol
LogP2.92
Rot. Bonds4

About 3-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-2-carboxamide

3-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-2-carboxamide (PubChem CID 3101754) has the molecular formula C18H13N3O5 and a molecular weight of 351.32 g/mol. Its IUPAC name is 3-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
PubChem CID3101754
Molecular FormulaC18H13N3O5
Molecular Weight351.32 g/mol
Exact Mass351.09
IUPAC Name3-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
SMILESO=C(NN=Cc1cc([N+](=O)[O-])ccc1O)c1cc2ccccc2cc1O
InChIInChI=1S/C18H13N3O5/c22-16-6-5-14(21(25)26)7-13(16)10-19-20-18(24)15-8-11-3-1-2-4-12(11)9-17(15)23/h1-10,22-23H,(H,20,24)
InChIKeyYMIGQHVYPHQACE-UHFFFAOYSA-N
XLogP2.92
TPSA125.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_acyl_naphthol(22)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitrobenzamide
CID 3358963
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide
CID 135830603
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide;N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide;N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide;3-hydroxy-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-2-carboxamide;3-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 172917708
2,4-dihydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 4686004
3-hydroxy-N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 6870532
2-hydroxy-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-nitrobenzamide
CID 137026862
2-N,5-N-bis[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-2,5-dicarboxamide
CID 4111159
3-hydroxy-N-[[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-carboxamide
CID 5137761
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 135745467
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 5008121
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 135472388
[4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
CID 3128054

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-2-carboxamide (CID 3101754) is 3-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-2-carboxamide is O=C(NN=Cc1cc([N+](=O)[O-])ccc1O)c1cc2ccccc2cc1O.
What is the InChIKey of 3-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-2-carboxamide?
The InChIKey is YMIGQHVYPHQACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O5/c22-16-6-5-14(21(25)26)7-13(16)10-19-20-18(24)15-8-11-3-1-2-4-12(11)9-17(15)23/h1-10,22-23H,(H,20,24).
What are the key properties of 3-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-2-carboxamide?
3-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-2-carboxamide has a molecular weight of 351.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-2-carboxamide is sourced from PubChem (CID 3101754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).