N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide

C16H13N5O4 — CID 135908154

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide
SMILESO=C(Cn1ncc2cc([N+](=O)[O-])ccc21)N/N=C/c1ccccc1O
InChIInChI=1S/C16H13N5O4/c22-15-4-2-1-3-11(15)8-17-19-16(23)10-20-14-6-5-13(21(24)25)7-12(14)9-18-20/h1-9,22H,10H2,(H,19,23)/b17-8+
InChIKeyIGKYFZXKQMEGDA-CAOOACKPSA-N
MW339.31 g/mol
LogP1.80
Rot. Bonds5

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide (PubChem CID 135908154) has the molecular formula C16H13N5O4 and a molecular weight of 339.31 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide
PubChem CID135908154
Molecular FormulaC16H13N5O4
Molecular Weight339.31 g/mol
Exact Mass339.10
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide
SMILESO=C(Cn1ncc2cc([N+](=O)[O-])ccc21)N/N=C/c1ccccc1O
InChIInChI=1S/C16H13N5O4/c22-15-4-2-1-3-11(15)8-17-19-16(23)10-20-14-6-5-13(21(24)25)7-12(14)9-18-20/h1-9,22H,10H2,(H,19,23)/b17-8+
InChIKeyIGKYFZXKQMEGDA-CAOOACKPSA-N
XLogP1.80
TPSA122.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide (CID 135908154) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide is O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)N/N=C/c1ccccc1O.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide?
The InChIKey is IGKYFZXKQMEGDA-CAOOACKPSA-N. The full InChI is InChI=1S/C16H13N5O4/c22-15-4-2-1-3-11(15)8-17-19-16(23)10-20-14-6-5-13(21(24)25)7-12(14)9-18-20/h1-9,22H,10H2,(H,19,23)/b17-8+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide has a molecular weight of 339.31 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide is sourced from PubChem (CID 135908154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).