2-(2-nitrophenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide

C15H14N4O3 — CID 25237315

IUPAC2-(2-nitrophenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide
SMILESC/C(=N\NC(=O)Cc1ccccc1[N+](=O)[O-])c1cccnc1
InChIInChI=1S/C15H14N4O3/c1-11(13-6-4-8-16-10-13)17-18-15(20)9-12-5-2-3-7-14(12)19(21)22/h2-8,10H,9H2,1H3,(H,18,20)/b17-11+
InChIKeyFALUAVPRHGXEEA-GZTJUZNOSA-N
MW298.30 g/mol
LogP2.07
Rot. Bonds5

About 2-(2-nitrophenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide

2-(2-nitrophenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide (PubChem CID 25237315) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-(2-nitrophenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-nitrophenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide
PubChem CID25237315
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name2-(2-nitrophenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide
SMILESC/C(=N\NC(=O)Cc1ccccc1[N+](=O)[O-])c1cccnc1
InChIInChI=1S/C15H14N4O3/c1-11(13-6-4-8-16-10-13)17-18-15(20)9-12-5-2-3-7-14(12)19(21)22/h2-8,10H,9H2,1H3,(H,18,20)/b17-11+
InChIKeyFALUAVPRHGXEEA-GZTJUZNOSA-N
XLogP2.07
TPSA97.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-nitrophenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide?
The IUPAC name of 2-(2-nitrophenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide (CID 25237315) is 2-(2-nitrophenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide.
What is the SMILES notation for 2-(2-nitrophenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide?
The canonical SMILES for 2-(2-nitrophenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide is C/C(=N\NC(=O)Cc1ccccc1[N+](=O)[O-])c1cccnc1.
What is the InChIKey of 2-(2-nitrophenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide?
The InChIKey is FALUAVPRHGXEEA-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-11(13-6-4-8-16-10-13)17-18-15(20)9-12-5-2-3-7-14(12)19(21)22/h2-8,10H,9H2,1H3,(H,18,20)/b17-11+.
What are the key properties of 2-(2-nitrophenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide?
2-(2-nitrophenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide has a molecular weight of 298.30 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide is sourced from PubChem (CID 25237315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).