3-hydroxy-N-[(E)-[4-(N-methylanilino)phenyl]methylideneamino]naphthalene-2-carboxamide

C25H21N3O2 — CID 6903267

IUPAC3-hydroxy-N-[(E)-[4-(N-methylanilino)phenyl]methylideneamino]naphthalene-2-carboxamide
SMILESCN(c1ccccc1)c1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1
InChIInChI=1S/C25H21N3O2/c1-28(21-9-3-2-4-10-21)22-13-11-18(12-14-22)17-26-27-25(30)23-15-19-7-5-6-8-20(19)16-24(23)29/h2-17,29H,1H3,(H,27,30)/b26-17+
InChIKeyVIYYPYQIYUCJOF-YZSQISJMSA-N
MW395.46 g/mol
LogP5.08
Rot. Bonds5

About 3-hydroxy-N-[(E)-[4-(N-methylanilino)phenyl]methylideneamino]naphthalene-2-carboxamide

3-hydroxy-N-[(E)-[4-(N-methylanilino)phenyl]methylideneamino]naphthalene-2-carboxamide (PubChem CID 6903267) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-hydroxy-N-[(E)-[4-(N-methylanilino)phenyl]methylideneamino]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(E)-[4-(N-methylanilino)phenyl]methylideneamino]naphthalene-2-carboxamide
PubChem CID6903267
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC Name3-hydroxy-N-[(E)-[4-(N-methylanilino)phenyl]methylideneamino]naphthalene-2-carboxamide
SMILESCN(c1ccccc1)c1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1
InChIInChI=1S/C25H21N3O2/c1-28(21-9-3-2-4-10-21)22-13-11-18(12-14-22)17-26-27-25(30)23-15-19-7-5-6-8-20(19)16-24(23)29/h2-17,29H,1H3,(H,27,30)/b26-17+
InChIKeyVIYYPYQIYUCJOF-YZSQISJMSA-N
XLogP5.08
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 55.08
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)-[4-(dimethylamino)phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 6868994
N-(benzylideneamino)-3-hydroxynaphthalene-2-carboxamide
CID 689876
3-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6869154
N-[[4-[2-cyanoethyl(methyl)amino]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 4077839
3-hydroxy-N-[(Z)-(4-propoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6027421
4-methoxy-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzamide
CID 1039675
[4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzenesulfonate
CID 171136023
3-hydroxy-N-[(E)-[4-(3-methylbutoxy)phenyl]methylideneamino]naphthalene-2-carboxamide
CID 6902774
N-[(3,5-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 6736315
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 135765556
3-hydroxy-N-[(4-prop-2-ynoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 4664333
tert-butyl 2-[4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
CID 3791292

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(E)-[4-(N-methylanilino)phenyl]methylideneamino]naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[(E)-[4-(N-methylanilino)phenyl]methylideneamino]naphthalene-2-carboxamide (CID 6903267) is 3-hydroxy-N-[(E)-[4-(N-methylanilino)phenyl]methylideneamino]naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(E)-[4-(N-methylanilino)phenyl]methylideneamino]naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(E)-[4-(N-methylanilino)phenyl]methylideneamino]naphthalene-2-carboxamide is CN(c1ccccc1)c1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1.
What is the InChIKey of 3-hydroxy-N-[(E)-[4-(N-methylanilino)phenyl]methylideneamino]naphthalene-2-carboxamide?
The InChIKey is VIYYPYQIYUCJOF-YZSQISJMSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-28(21-9-3-2-4-10-21)22-13-11-18(12-14-22)17-26-27-25(30)23-15-19-7-5-6-8-20(19)16-24(23)29/h2-17,29H,1H3,(H,27,30)/b26-17+.
What are the key properties of 3-hydroxy-N-[(E)-[4-(N-methylanilino)phenyl]methylideneamino]naphthalene-2-carboxamide?
3-hydroxy-N-[(E)-[4-(N-methylanilino)phenyl]methylideneamino]naphthalene-2-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(E)-[4-(N-methylanilino)phenyl]methylideneamino]naphthalene-2-carboxamide is sourced from PubChem (CID 6903267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).