N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide

C17H15N5O4 — CID 46935057

IUPACN-[(E)-(4-methoxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide
SMILESCOc1ccc(/C=N/NC(=O)Cn2ncc3cc([N+](=O)[O-])ccc32)cc1
InChIInChI=1S/C17H15N5O4/c1-26-15-5-2-12(3-6-15)9-18-20-17(23)11-21-16-7-4-14(22(24)25)8-13(16)10-19-21/h2-10H,11H2,1H3,(H,20,23)/b18-9+
InChIKeyQWWRATYRFSRYFX-GIJQJNRQSA-N
MW353.34 g/mol
LogP2.10
Rot. Bonds6

About N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide

N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide (PubChem CID 46935057) has the molecular formula C17H15N5O4 and a molecular weight of 353.34 g/mol. Its IUPAC name is N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(4-methoxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide
PubChem CID46935057
Molecular FormulaC17H15N5O4
Molecular Weight353.34 g/mol
Exact Mass353.11
IUPAC NameN-[(E)-(4-methoxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide
SMILESCOc1ccc(/C=N/NC(=O)Cn2ncc3cc([N+](=O)[O-])ccc32)cc1
InChIInChI=1S/C17H15N5O4/c1-26-15-5-2-12(3-6-15)9-18-20-17(23)11-21-16-7-4-14(22(24)25)8-13(16)10-19-21/h2-10H,11H2,1H3,(H,20,23)/b18-9+
InChIKeyQWWRATYRFSRYFX-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

4-(4-Methoxy-phenyl)-7-nitro-1,2-dihydro-3,9,9a-triaza-fluorene
CID 24979615
1-(5-Nitroindazol-1-yl)-3-(4-phenoxyphenoxy)propan-2-one
CID 162663082
N-(2-ethoxyphenyl)-2-(6-nitroindazol-1-yl)acetamide
CID 4352278
2-(1H-indazol-1-yl)-N-(4-propoxybenzyl)acetamide
CID 6620230
N-(4-ethoxyphenyl)-2-(1H-indazol-1-yl)acetamide
CID 20885370
5-[1-[(4-Methoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one
CID 155545496
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N'-[(E)-(4-methoxyphenyl)methylidene]acetohydrazide
CID 6890183
1H-Indazole, 1-(4-methoxybenzoyl)-5-nitro-
CID 212070
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)-(2-methoxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide
CID 46935056

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide?
The IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide (CID 46935057) is N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide.
What is the SMILES notation for N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide?
The canonical SMILES for N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide is COc1ccc(/C=N/NC(=O)Cn2ncc3cc([N+](=O)[O-])ccc32)cc1.
What is the InChIKey of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide?
The InChIKey is QWWRATYRFSRYFX-GIJQJNRQSA-N. The full InChI is InChI=1S/C17H15N5O4/c1-26-15-5-2-12(3-6-15)9-18-20-17(23)11-21-16-7-4-14(22(24)25)8-13(16)10-19-21/h2-10H,11H2,1H3,(H,20,23)/b18-9+.
What are the key properties of N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide?
N-[(E)-(4-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)-(4-methoxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide is sourced from PubChem (CID 46935057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).