6-(2-morpholin-4-ylethylamino)-5-nitropyridine-2-carboxylic acid

C12H16N4O5 — CID 114403496

IUPAC6-(2-morpholin-4-ylethylamino)-5-nitropyridine-2-carboxylic acid
SMILESO=C(O)c1ccc([N+](=O)[O-])c(NCCN2CCOCC2)n1
InChIInChI=1S/C12H16N4O5/c17-12(18)9-1-2-10(16(19)20)11(14-9)13-3-4-15-5-7-21-8-6-15/h1-2H,3-8H2,(H,13,14)(H,17,18)
InChIKeyQQUBSDFOILQNGK-UHFFFAOYSA-N
MW296.28 g/mol
LogP0.43
Rot. Bonds6

About 6-(2-morpholin-4-ylethylamino)-5-nitropyridine-2-carboxylic acid

6-(2-morpholin-4-ylethylamino)-5-nitropyridine-2-carboxylic acid (PubChem CID 114403496) has the molecular formula C12H16N4O5 and a molecular weight of 296.28 g/mol. Its IUPAC name is 6-(2-morpholin-4-ylethylamino)-5-nitropyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-morpholin-4-ylethylamino)-5-nitropyridine-2-carboxylic acid
PubChem CID114403496
Molecular FormulaC12H16N4O5
Molecular Weight296.28 g/mol
Exact Mass296.11
IUPAC Name6-(2-morpholin-4-ylethylamino)-5-nitropyridine-2-carboxylic acid
SMILESO=C(O)c1ccc([N+](=O)[O-])c(NCCN2CCOCC2)n1
InChIInChI=1S/C12H16N4O5/c17-12(18)9-1-2-10(16(19)20)11(14-9)13-3-4-15-5-7-21-8-6-15/h1-2H,3-8H2,(H,13,14)(H,17,18)
InChIKeyQQUBSDFOILQNGK-UHFFFAOYSA-N
XLogP0.43
TPSA117.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-(2-morpholin-4-ylethylamino)-5-nitropyridine-2-carboxylic acid 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

6-(2-imidazol-1-ylethylamino)-5-nitropyridine-2-carboxylic acid
CID 114403816
6-N-(3-chlorophenyl)-2-N-(2-morpholin-4-ylethyl)-3-nitropyridine-2,6-diamine
CID 110172152
6-(ethylamino)-5-nitropyridine-2-carboxylic acid
CID 114403392
5-nitro-6-(octylamino)pyridine-2-carboxylic acid
CID 114404374
6-(4-benzylsulfonylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine
CID 110172010
4-methyl-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine
CID 24903164
4-chloro-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine
CID 24903165
methyl 6-(2-morpholin-4-ylethylamino)-5-nitropyridine-3-carboxylate
CID 24903170
6-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine
CID 110172016
1-methyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazol-3-amine
CID 103079679
5-nitro-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid
CID 114404148
4-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 2959291

Frequently Asked Questions

What is the IUPAC name of 6-(2-morpholin-4-ylethylamino)-5-nitropyridine-2-carboxylic acid?
The IUPAC name of 6-(2-morpholin-4-ylethylamino)-5-nitropyridine-2-carboxylic acid (CID 114403496) is 6-(2-morpholin-4-ylethylamino)-5-nitropyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2-morpholin-4-ylethylamino)-5-nitropyridine-2-carboxylic acid?
The canonical SMILES for 6-(2-morpholin-4-ylethylamino)-5-nitropyridine-2-carboxylic acid is O=C(O)c1ccc([N+](=O)[O-])c(NCCN2CCOCC2)n1.
What is the InChIKey of 6-(2-morpholin-4-ylethylamino)-5-nitropyridine-2-carboxylic acid?
The InChIKey is QQUBSDFOILQNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O5/c17-12(18)9-1-2-10(16(19)20)11(14-9)13-3-4-15-5-7-21-8-6-15/h1-2H,3-8H2,(H,13,14)(H,17,18).
What are the key properties of 6-(2-morpholin-4-ylethylamino)-5-nitropyridine-2-carboxylic acid?
6-(2-morpholin-4-ylethylamino)-5-nitropyridine-2-carboxylic acid has a molecular weight of 296.28 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-morpholin-4-ylethylamino)-5-nitropyridine-2-carboxylic acid is sourced from PubChem (CID 114403496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).