2-(5-nitroindazol-1-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide

C16H12N6O5 — CID 46935055

IUPAC2-(5-nitroindazol-1-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
SMILESO=C(Cn1ncc2cc([N+](=O)[O-])ccc21)N/N=C/c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H12N6O5/c23-16(19-17-8-11-2-1-3-13(6-11)21(24)25)10-20-15-5-4-14(22(26)27)7-12(15)9-18-20/h1-9H,10H2,(H,19,23)/b17-8+
InChIKeyDGJBCVGFPFQIOC-CAOOACKPSA-N
MW368.31 g/mol
LogP2.00
Rot. Bonds6

About 2-(5-nitroindazol-1-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide

2-(5-nitroindazol-1-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide (PubChem CID 46935055) has the molecular formula C16H12N6O5 and a molecular weight of 368.31 g/mol. Its IUPAC name is 2-(5-nitroindazol-1-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-nitroindazol-1-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
PubChem CID46935055
Molecular FormulaC16H12N6O5
Molecular Weight368.31 g/mol
Exact Mass368.09
IUPAC Name2-(5-nitroindazol-1-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
SMILESO=C(Cn1ncc2cc([N+](=O)[O-])ccc21)N/N=C/c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H12N6O5/c23-16(19-17-8-11-2-1-3-13(6-11)21(24)25)10-20-15-5-4-14(22(26)27)7-12(15)9-18-20/h1-9H,10H2,(H,19,23)/b17-8+
InChIKeyDGJBCVGFPFQIOC-CAOOACKPSA-N
XLogP2.00
TPSA145.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of 2-(5-nitroindazol-1-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(5-nitroindazol-1-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide (CID 46935055) is 2-(5-nitroindazol-1-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(5-nitroindazol-1-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(5-nitroindazol-1-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide is O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)N/N=C/c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(5-nitroindazol-1-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide?
The InChIKey is DGJBCVGFPFQIOC-CAOOACKPSA-N. The full InChI is InChI=1S/C16H12N6O5/c23-16(19-17-8-11-2-1-3-13(6-11)21(24)25)10-20-15-5-4-14(22(26)27)7-12(15)9-18-20/h1-9H,10H2,(H,19,23)/b17-8+.
What are the key properties of 2-(5-nitroindazol-1-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide?
2-(5-nitroindazol-1-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide has a molecular weight of 368.31 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-nitroindazol-1-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 46935055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).