3-(benzotriazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide

C20H17N5O2 — CID 135479309

IUPAC3-(benzotriazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
SMILESO=C(CCn1nnc2ccccc21)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C20H17N5O2/c26-19-10-9-14-5-1-2-6-15(14)16(19)13-21-23-20(27)11-12-25-18-8-4-3-7-17(18)22-24-25/h1-10,13,26H,11-12H2,(H,23,27)/b21-13+
InChIKeyUAGIIMCUTVUENJ-FYJGNVAPSA-N
MW359.39 g/mol
LogP2.83
Rot. Bonds5

About 3-(benzotriazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide

3-(benzotriazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide (PubChem CID 135479309) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 3-(benzotriazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide.

Molecular Properties

Compound Name3-(benzotriazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
PubChem CID135479309
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name3-(benzotriazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
SMILESO=C(CCn1nnc2ccccc21)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C20H17N5O2/c26-19-10-9-14-5-1-2-6-15(14)16(19)13-21-23-20(27)11-12-25-18-8-4-3-7-17(18)22-24-25/h1-10,13,26H,11-12H2,(H,23,27)/b21-13+
InChIKeyUAGIIMCUTVUENJ-FYJGNVAPSA-N
XLogP2.83
TPSA92.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(benzotriazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-((2-HO-1-Naphthyl)methylene)-2-(2-methyl-1H-benzimidazol-1-YL)acetohydrazide
CID 135679853
3-(1H-1,2,3-benzotriazol-1-yl)-N'-(2-hydroxy-5-methoxybenzylidene)propanohydrazide
CID 135490295
(e)-3-(3,5-Dimethyl-1h-pyrazol-1-yl)-n'-((2-hydroxynaphthalen-1-yl)methylene)propanehydrazide
CID 135541142
3-(2-methylbenzimidazol-1-yl)-N'-[(Z)-(2-oxonaphthalen-1-ylidene)methyl]propanehydrazide
CID 135641995
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide
CID 136232736
(E)-3-(1H-benzo[d]imidazol-1-yl)-N'-((2-hydroxynaphthalen-1-yl)methylene)propanehydrazide
CID 135717473
3-[2-(azidomethyl)benzimidazol-1-yl]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
CID 136219353
N-[(E)-(2,6-dihydroxynaphthalen-1-yl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide
CID 136239377
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-(2-methylbenzimidazol-1-yl)butanamide
CID 136239378
3-[2-[(dimethylamino)methyl]benzimidazol-1-yl]-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
CID 136254449
N'-((E)-(2-hydroxynaphthalen-1-yl)methylidene)-3-(2-methyl-1H-benzimidazol-1-yl)propanehydrazide
CID 1284229
3-(1H-1,2,3-Benzotriazol-1-YL)-N'-(3-hydroxybenzylidene)propanohydrazide
CID 6867815

Frequently Asked Questions

What is the IUPAC name of 3-(benzotriazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide?
The IUPAC name of 3-(benzotriazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide (CID 135479309) is 3-(benzotriazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide.
What is the SMILES notation for 3-(benzotriazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide?
The canonical SMILES for 3-(benzotriazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide is O=C(CCn1nnc2ccccc21)N/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of 3-(benzotriazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide?
The InChIKey is UAGIIMCUTVUENJ-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H17N5O2/c26-19-10-9-14-5-1-2-6-15(14)16(19)13-21-23-20(27)11-12-25-18-8-4-3-7-17(18)22-24-25/h1-10,13,26H,11-12H2,(H,23,27)/b21-13+.
What are the key properties of 3-(benzotriazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide?
3-(benzotriazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide has a molecular weight of 359.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzotriazol-1-yl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide is sourced from PubChem (CID 135479309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).