2-(3-nitrophenoxy)-N-(pyridin-2-ylmethylideneamino)acetamide

C14H12N4O4 — CID 570404

IUPAC2-(3-nitrophenoxy)-N-(pyridin-2-ylmethylideneamino)acetamide
SMILESO=C(COc1cccc([N+](=O)[O-])c1)NN=Cc1ccccn1
InChIInChI=1S/C14H12N4O4/c19-14(17-16-9-11-4-1-2-7-15-11)10-22-13-6-3-5-12(8-13)18(20)21/h1-9H,10H2,(H,17,19)
InChIKeyWQIBLYCTTXPIQG-UHFFFAOYSA-N
MW300.27 g/mol
LogP1.52
Rot. Bonds6

About 2-(3-nitrophenoxy)-N-(pyridin-2-ylmethylideneamino)acetamide

2-(3-nitrophenoxy)-N-(pyridin-2-ylmethylideneamino)acetamide (PubChem CID 570404) has the molecular formula C14H12N4O4 and a molecular weight of 300.27 g/mol. Its IUPAC name is 2-(3-nitrophenoxy)-N-(pyridin-2-ylmethylideneamino)acetamide.

Molecular Properties

Compound Name2-(3-nitrophenoxy)-N-(pyridin-2-ylmethylideneamino)acetamide
PubChem CID570404
Molecular FormulaC14H12N4O4
Molecular Weight300.27 g/mol
Exact Mass300.09
IUPAC Name2-(3-nitrophenoxy)-N-(pyridin-2-ylmethylideneamino)acetamide
SMILESO=C(COc1cccc([N+](=O)[O-])c1)NN=Cc1ccccn1
InChIInChI=1S/C14H12N4O4/c19-14(17-16-9-11-4-1-2-7-15-11)10-22-13-6-3-5-12(8-13)18(20)21/h1-9H,10H2,(H,17,19)
InChIKeyWQIBLYCTTXPIQG-UHFFFAOYSA-N
XLogP1.52
TPSA106.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-(3-bromophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 5391030
2-naphthalen-2-yloxy-N-(pyridin-2-ylmethylideneamino)acetamide
CID 826768
3-nitro-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
CID 5405168
2-(3-methoxyphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 19208624
N-[(2-hydroxy-4-methylphenyl)methylideneamino]-2-(3-nitrophenoxy)acetamide
CID 758737
2-(4-methoxyphenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 5425519
2-(N-methylsulfonyl-3-nitroanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 126032717
2-(4-methoxyphenoxy)-N-[(3-nitrophenyl)methylideneamino]acetamide
CID 774611
2-(4-chlorophenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 6870633
2-(4-methylphenoxy)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5404935
2-(4-iodophenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 5334791
N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(3-chlorophenoxy)acetamide
CID 96881501

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitrophenoxy)-N-(pyridin-2-ylmethylideneamino)acetamide?
The IUPAC name of 2-(3-nitrophenoxy)-N-(pyridin-2-ylmethylideneamino)acetamide (CID 570404) is 2-(3-nitrophenoxy)-N-(pyridin-2-ylmethylideneamino)acetamide.
What is the SMILES notation for 2-(3-nitrophenoxy)-N-(pyridin-2-ylmethylideneamino)acetamide?
The canonical SMILES for 2-(3-nitrophenoxy)-N-(pyridin-2-ylmethylideneamino)acetamide is O=C(COc1cccc([N+](=O)[O-])c1)NN=Cc1ccccn1.
What is the InChIKey of 2-(3-nitrophenoxy)-N-(pyridin-2-ylmethylideneamino)acetamide?
The InChIKey is WQIBLYCTTXPIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O4/c19-14(17-16-9-11-4-1-2-7-15-11)10-22-13-6-3-5-12(8-13)18(20)21/h1-9H,10H2,(H,17,19).
What are the key properties of 2-(3-nitrophenoxy)-N-(pyridin-2-ylmethylideneamino)acetamide?
2-(3-nitrophenoxy)-N-(pyridin-2-ylmethylideneamino)acetamide has a molecular weight of 300.27 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrophenoxy)-N-(pyridin-2-ylmethylideneamino)acetamide is sourced from PubChem (CID 570404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).