5-amino-N-(2-methoxyethyl)-2-nitropyridine-4-carboxamide

C9H12N4O4 — CID 114195860

IUPAC5-amino-N-(2-methoxyethyl)-2-nitropyridine-4-carboxamide
SMILESCOCCNC(=O)c1cc([N+](=O)[O-])ncc1N
InChIInChI=1S/C9H12N4O4/c1-17-3-2-11-9(14)6-4-8(13(15)16)12-5-7(6)10/h4-5H,2-3,10H2,1H3,(H,11,14)
InChIKeyAAAMOQMMCMZSPO-UHFFFAOYSA-N
MW240.22 g/mol
LogP-0.05
Rot. Bonds5

About 5-amino-N-(2-methoxyethyl)-2-nitropyridine-4-carboxamide

5-amino-N-(2-methoxyethyl)-2-nitropyridine-4-carboxamide (PubChem CID 114195860) has the molecular formula C9H12N4O4 and a molecular weight of 240.22 g/mol. Its IUPAC name is 5-amino-N-(2-methoxyethyl)-2-nitropyridine-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-methoxyethyl)-2-nitropyridine-4-carboxamide
PubChem CID114195860
Molecular FormulaC9H12N4O4
Molecular Weight240.22 g/mol
Exact Mass240.09
IUPAC Name5-amino-N-(2-methoxyethyl)-2-nitropyridine-4-carboxamide
SMILESCOCCNC(=O)c1cc([N+](=O)[O-])ncc1N
InChIInChI=1S/C9H12N4O4/c1-17-3-2-11-9(14)6-4-8(13(15)16)12-5-7(6)10/h4-5H,2-3,10H2,1H3,(H,11,14)
InChIKeyAAAMOQMMCMZSPO-UHFFFAOYSA-N
XLogP-0.05
TPSA120.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 5-0.05
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

5-amino-4-fluoro-N-(2-methoxyethyl)-2-nitrobenzamide
CID 62155193
5-amino-2-nitropyridine-4-carboxylic acid
CID 127018665
5-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-nitropyridine-4-carboxamide
CID 114195884
methyl 5-amino-2-(2-methoxyethoxy)pyridine-4-carboxylate;methyl 2-(2-methoxyethoxy)-5-nitropyridine-4-carboxylate
CID 159122898
4-amino-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 81235993
N-(2-methoxyethyl)-5-nitropyridine-3-carboxamide
CID 54022575
N-ethyl-2-nitro-5-(propylamino)pyridine-4-carboxamide
CID 114195863
methyl 4-amino-3-(2-methoxyethylcarbamoyl)benzoate
CID 89026105
2-fluoro-N-(2-methoxyethyl)-5-nitrobenzamide
CID 43377388
3-amino-N-[2-(2-methoxyethoxy)ethyl]-2-nitrobenzamide
CID 115548691
N-[2-(2-methoxyethylamino)ethyl]-5-methyl-2-nitrobenzamide
CID 82993906
N-(2-methoxyethyl)-4,6-dimethylpyridine-3-carboxamide
CID 123301076

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-methoxyethyl)-2-nitropyridine-4-carboxamide?
The IUPAC name of 5-amino-N-(2-methoxyethyl)-2-nitropyridine-4-carboxamide (CID 114195860) is 5-amino-N-(2-methoxyethyl)-2-nitropyridine-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2-methoxyethyl)-2-nitropyridine-4-carboxamide?
The canonical SMILES for 5-amino-N-(2-methoxyethyl)-2-nitropyridine-4-carboxamide is COCCNC(=O)c1cc([N+](=O)[O-])ncc1N.
What is the InChIKey of 5-amino-N-(2-methoxyethyl)-2-nitropyridine-4-carboxamide?
The InChIKey is AAAMOQMMCMZSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O4/c1-17-3-2-11-9(14)6-4-8(13(15)16)12-5-7(6)10/h4-5H,2-3,10H2,1H3,(H,11,14).
What are the key properties of 5-amino-N-(2-methoxyethyl)-2-nitropyridine-4-carboxamide?
5-amino-N-(2-methoxyethyl)-2-nitropyridine-4-carboxamide has a molecular weight of 240.22 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-methoxyethyl)-2-nitropyridine-4-carboxamide is sourced from PubChem (CID 114195860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).