2-amino-N-ethyl-N-(2-methoxyethyl)-5-nitropyridine-3-carboxamide

C11H16N4O4 — CID 104585993

IUPAC2-amino-N-ethyl-N-(2-methoxyethyl)-5-nitropyridine-3-carboxamide
SMILESCCN(CCOC)C(=O)c1cc([N+](=O)[O-])cnc1N
InChIInChI=1S/C11H16N4O4/c1-3-14(4-5-19-2)11(16)9-6-8(15(17)18)7-13-10(9)12/h6-7H,3-5H2,1-2H3,(H2,12,13)
InChIKeyZURTYELCBYYBSO-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.68
Rot. Bonds6

About 2-amino-N-ethyl-N-(2-methoxyethyl)-5-nitropyridine-3-carboxamide

2-amino-N-ethyl-N-(2-methoxyethyl)-5-nitropyridine-3-carboxamide (PubChem CID 104585993) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-amino-N-ethyl-N-(2-methoxyethyl)-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-ethyl-N-(2-methoxyethyl)-5-nitropyridine-3-carboxamide
PubChem CID104585993
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name2-amino-N-ethyl-N-(2-methoxyethyl)-5-nitropyridine-3-carboxamide
SMILESCCN(CCOC)C(=O)c1cc([N+](=O)[O-])cnc1N
InChIInChI=1S/C11H16N4O4/c1-3-14(4-5-19-2)11(16)9-6-8(15(17)18)7-13-10(9)12/h6-7H,3-5H2,1-2H3,(H2,12,13)
InChIKeyZURTYELCBYYBSO-UHFFFAOYSA-N
XLogP0.68
TPSA111.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-ethyl-5-nitro-N-propylpyridine-3-carboxamide
CID 104585991
2-amino-N-(2-cyanoethyl)-N-ethyl-5-nitropyridine-3-carboxamide
CID 104589851
2-amino-N-[2-[ethyl(methyl)amino]ethyl]-5-nitropyridine-3-carboxamide
CID 104589382
5-amino-N-ethyl-N-(2-methoxyethyl)-2-nitrobenzamide
CID 62162116
2-amino-N-(4-methoxybutan-2-yl)-5-nitropyridine-3-carboxamide
CID 104587721
2-amino-N-butan-2-yl-N-methyl-5-nitropyridine-3-carboxamide
CID 104589876
2-amino-N-butan-2-yl-N-butyl-5-nitropyridine-3-carboxamide
CID 104625598
2-amino-5-nitro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
CID 104600910
2-amino-N-cyclopropyl-N-(3-methylbutyl)-5-nitropyridine-3-carboxamide
CID 104593364
4-amino-3-chloro-N-ethyl-N-(2-methoxyethyl)-5-nitrobenzamide
CID 62162114
2-amino-N-(2-ethylsulfinylethyl)-5-nitropyridine-3-carboxamide
CID 104589277
2-amino-N-[4-(dimethylamino)butan-2-yl]-5-nitropyridine-3-carboxamide
CID 104589638

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-N-(2-methoxyethyl)-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-amino-N-ethyl-N-(2-methoxyethyl)-5-nitropyridine-3-carboxamide (CID 104585993) is 2-amino-N-ethyl-N-(2-methoxyethyl)-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-ethyl-N-(2-methoxyethyl)-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-ethyl-N-(2-methoxyethyl)-5-nitropyridine-3-carboxamide is CCN(CCOC)C(=O)c1cc([N+](=O)[O-])cnc1N.
What is the InChIKey of 2-amino-N-ethyl-N-(2-methoxyethyl)-5-nitropyridine-3-carboxamide?
The InChIKey is ZURTYELCBYYBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-3-14(4-5-19-2)11(16)9-6-8(15(17)18)7-13-10(9)12/h6-7H,3-5H2,1-2H3,(H2,12,13).
What are the key properties of 2-amino-N-ethyl-N-(2-methoxyethyl)-5-nitropyridine-3-carboxamide?
2-amino-N-ethyl-N-(2-methoxyethyl)-5-nitropyridine-3-carboxamide has a molecular weight of 268.27 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-N-(2-methoxyethyl)-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 104585993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).