2-[2-[(6-amino-5-nitro-2-pyridinyl)amino]ethoxy]acetamide

C9H13N5O4 — CID 106239517

IUPAC2-[2-[(6-amino-5-nitro-2-pyridinyl)amino]ethoxy]acetamide
SMILESNC(=O)COCCNc1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C9H13N5O4/c10-7(15)5-18-4-3-12-8-2-1-6(14(16)17)9(11)13-8/h1-2H,3-5H2,(H2,10,15)(H3,11,12,13)
InChIKeyHBHCEDZVXLSOGE-UHFFFAOYSA-N
MW255.23 g/mol
LogP-0.51
Rot. Bonds7

About 2-[2-[(6-amino-5-nitro-2-pyridinyl)amino]ethoxy]acetamide

2-[2-[(6-amino-5-nitro-2-pyridinyl)amino]ethoxy]acetamide (PubChem CID 106239517) has the molecular formula C9H13N5O4 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-[2-[(6-amino-5-nitro-2-pyridinyl)amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(6-amino-5-nitro-2-pyridinyl)amino]ethoxy]acetamide
PubChem CID106239517
Molecular FormulaC9H13N5O4
Molecular Weight255.23 g/mol
Exact Mass255.10
IUPAC Name2-[2-[(6-amino-5-nitro-2-pyridinyl)amino]ethoxy]acetamide
SMILESNC(=O)COCCNc1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C9H13N5O4/c10-7(15)5-18-4-3-12-8-2-1-6(14(16)17)9(11)13-8/h1-2H,3-5H2,(H2,10,15)(H3,11,12,13)
InChIKeyHBHCEDZVXLSOGE-UHFFFAOYSA-N
XLogP-0.51
TPSA146.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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'}

Analyze 2-[2-[(6-amino-5-nitro-2-pyridinyl)amino]ethoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(5,6-diamino-2-pyridinyl)amino]ethoxy]acetamide
CID 106234451
6-N-butyl-3-nitropyridine-2,6-diamine
CID 79827989
6-N-(2-cyclopentyloxyethyl)-3-nitropyridine-2,6-diamine
CID 79815858
3-[(6-amino-5-nitro-2-pyridinyl)amino]propylcarbamic acid
CID 68711250
3-nitro-6-N-octylpyridine-2,6-diamine
CID 110180521
2-[2-[(5-amino-6-methoxy-2-pyridinyl)amino]ethoxy]acetamide
CID 106234342
3-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide
CID 106097286
2-[2-(2,3-difluoro-6-nitroanilino)ethoxy]acetamide
CID 106239487
2-[2-(5-chloro-2-nitroanilino)ethoxy]acetamide
CID 106239649
2-[2-(2-amino-2-oxoethoxy)ethylamino]-3-nitrobenzoic acid
CID 106237946
2-[2-[(5-nitropyrimidin-2-yl)amino]ethoxy]acetamide
CID 114162578
2-[2-[(5-amino-6-propoxy-2-pyridinyl)amino]ethoxy]acetamide
CID 106234525

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-amino-5-nitro-2-pyridinyl)amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(6-amino-5-nitro-2-pyridinyl)amino]ethoxy]acetamide (CID 106239517) is 2-[2-[(6-amino-5-nitro-2-pyridinyl)amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(6-amino-5-nitro-2-pyridinyl)amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(6-amino-5-nitro-2-pyridinyl)amino]ethoxy]acetamide is NC(=O)COCCNc1ccc([N+](=O)[O-])c(N)n1.
What is the InChIKey of 2-[2-[(6-amino-5-nitro-2-pyridinyl)amino]ethoxy]acetamide?
The InChIKey is HBHCEDZVXLSOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O4/c10-7(15)5-18-4-3-12-8-2-1-6(14(16)17)9(11)13-8/h1-2H,3-5H2,(H2,10,15)(H3,11,12,13).
What are the key properties of 2-[2-[(6-amino-5-nitro-2-pyridinyl)amino]ethoxy]acetamide?
2-[2-[(6-amino-5-nitro-2-pyridinyl)amino]ethoxy]acetamide has a molecular weight of 255.23 g/mol, XLogP of -0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-amino-5-nitro-2-pyridinyl)amino]ethoxy]acetamide is sourced from PubChem (CID 106239517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).