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

C17H15N5O4 — CID 46935056

IUPACN-[(E)-(2-methoxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide
SMILESCOc1ccccc1/C=N/NC(=O)Cn1ncc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C17H15N5O4/c1-26-16-5-3-2-4-12(16)9-18-20-17(23)11-21-15-7-6-14(22(24)25)8-13(15)10-19-21/h2-10H,11H2,1H3,(H,20,23)/b18-9+
InChIKeyLJIHECGTGOHKIH-GIJQJNRQSA-N
MW353.34 g/mol
LogP2.10
Rot. Bonds6

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

N-[(E)-(2-methoxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide (PubChem CID 46935056) has the molecular formula C17H15N5O4 and a molecular weight of 353.34 g/mol. Its IUPAC name is N-[(E)-(2-methoxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(2-methoxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide
PubChem CID46935056
Molecular FormulaC17H15N5O4
Molecular Weight353.34 g/mol
Exact Mass353.11
IUPAC NameN-[(E)-(2-methoxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide
SMILESCOc1ccccc1/C=N/NC(=O)Cn1ncc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C17H15N5O4/c1-26-16-5-3-2-4-12(16)9-18-20-17(23)11-21-15-7-6-14(22(24)25)8-13(15)10-19-21/h2-10H,11H2,1H3,(H,20,23)/b18-9+
InChIKeyLJIHECGTGOHKIH-GIJQJNRQSA-N
XLogP2.10
TPSA111.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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

N-(2-methylindazol-5-yl)-2-(2-methylphenoxy)acetamide
CID 155532506
N-(1-methylindazol-5-yl)-2-(2-methylphenoxy)acetamide
CID 155533667
1-(5-Nitroindazol-1-yl)-3-(4-phenoxyphenoxy)propan-2-one
CID 162663082
N-(2-ethoxyphenyl)-2-(6-nitroindazol-1-yl)acetamide
CID 4352278
N-(4-ethoxyphenyl)-2-(1H-indazol-1-yl)acetamide
CID 20885370
1h-Indazole-1-acetamide,7-amino-n-(4-methoxyphenyl)-
CID 10040215
N-[2-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide
CID 46932980
N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide
CID 46932981
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide
CID 46935057
N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide
CID 46935061
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide
CID 135908154
2-(3-Methoxy-5-nitroindazol-1-yl)ethanamine
CID 171344735

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-methoxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide?
The IUPAC name of N-[(E)-(2-methoxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide (CID 46935056) is N-[(E)-(2-methoxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide.
What is the SMILES notation for N-[(E)-(2-methoxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide?
The canonical SMILES for N-[(E)-(2-methoxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide is COc1ccccc1/C=N/NC(=O)Cn1ncc2cc([N+](=O)[O-])ccc21.
What is the InChIKey of N-[(E)-(2-methoxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide?
The InChIKey is LJIHECGTGOHKIH-GIJQJNRQSA-N. The full InChI is InChI=1S/C17H15N5O4/c1-26-16-5-3-2-4-12(16)9-18-20-17(23)11-21-15-7-6-14(22(24)25)8-13(15)10-19-21/h2-10H,11H2,1H3,(H,20,23)/b18-9+.
What are the key properties of N-[(E)-(2-methoxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide?
N-[(E)-(2-methoxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide has a molecular weight of 353.34 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-methoxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide is sourced from PubChem (CID 46935056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).