2-[2-[(2-nitro-3-pyridinyl)amino]ethoxy]acetamide

C9H12N4O4 — CID 106239190

IUPAC2-[2-[(2-nitro-3-pyridinyl)amino]ethoxy]acetamide
SMILESNC(=O)COCCNc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C9H12N4O4/c10-8(14)6-17-5-4-11-7-2-1-3-12-9(7)13(15)16/h1-3,11H,4-6H2,(H2,10,14)
InChIKeyOHZKGLYZTRDDJQ-UHFFFAOYSA-N
MW240.22 g/mol
LogP-0.10
Rot. Bonds7

About 2-[2-[(2-nitro-3-pyridinyl)amino]ethoxy]acetamide

2-[2-[(2-nitro-3-pyridinyl)amino]ethoxy]acetamide (PubChem CID 106239190) has the molecular formula C9H12N4O4 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-[2-[(2-nitro-3-pyridinyl)amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(2-nitro-3-pyridinyl)amino]ethoxy]acetamide
PubChem CID106239190
Molecular FormulaC9H12N4O4
Molecular Weight240.22 g/mol
Exact Mass240.09
IUPAC Name2-[2-[(2-nitro-3-pyridinyl)amino]ethoxy]acetamide
SMILESNC(=O)COCCNc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C9H12N4O4/c10-8(14)6-17-5-4-11-7-2-1-3-12-9(7)13(15)16/h1-3,11H,4-6H2,(H2,10,14)
InChIKeyOHZKGLYZTRDDJQ-UHFFFAOYSA-N
XLogP-0.10
TPSA120.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[2-[(5-nitropyrimidin-2-yl)amino]ethoxy]acetamide
CID 114162578
2-[(2-nitro-3-pyridinyl)amino]-N-propylacetamide
CID 112685108
2-nitro-N-pent-4-ynylpyridin-3-amine
CID 103704442
2-nitro-N-(2-phenylsulfanylethyl)pyridin-3-amine
CID 115585673
2-[2-(5-chloro-2-nitroanilino)ethoxy]acetamide
CID 106239649
N-(cyclopropylmethyl)-2-nitropyridin-3-amine
CID 119030468
2-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine
CID 115628495
2-[2-(4-formyl-2-nitroanilino)ethoxy]acetamide
CID 106239852
2-[2-(2-sulfamoylanilino)ethoxy]acetamide
CID 114162595
N-(2-cyclopentylethyl)-2-nitropyridin-3-amine
CID 112685150
2-[2-[(6-amino-5-nitro-2-pyridinyl)amino]ethoxy]acetamide
CID 106239517
2-[2-[(1-methyl-4-nitropyrazol-3-yl)amino]ethoxy]acetamide
CID 106239305

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-nitro-3-pyridinyl)amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(2-nitro-3-pyridinyl)amino]ethoxy]acetamide (CID 106239190) is 2-[2-[(2-nitro-3-pyridinyl)amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(2-nitro-3-pyridinyl)amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(2-nitro-3-pyridinyl)amino]ethoxy]acetamide is NC(=O)COCCNc1cccnc1[N+](=O)[O-].
What is the InChIKey of 2-[2-[(2-nitro-3-pyridinyl)amino]ethoxy]acetamide?
The InChIKey is OHZKGLYZTRDDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O4/c10-8(14)6-17-5-4-11-7-2-1-3-12-9(7)13(15)16/h1-3,11H,4-6H2,(H2,10,14).
What are the key properties of 2-[2-[(2-nitro-3-pyridinyl)amino]ethoxy]acetamide?
2-[2-[(2-nitro-3-pyridinyl)amino]ethoxy]acetamide has a molecular weight of 240.22 g/mol, XLogP of -0.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-nitro-3-pyridinyl)amino]ethoxy]acetamide is sourced from PubChem (CID 106239190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).