methyl 6-(2-morpholin-4-ylethylamino)-5-nitropyridine-3-carboxylate

C13H18N4O5 — CID 24903170

IUPACmethyl 6-(2-morpholin-4-ylethylamino)-5-nitropyridine-3-carboxylate
SMILESCOC(=O)c1cnc(NCCN2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H18N4O5/c1-21-13(18)10-8-11(17(19)20)12(15-9-10)14-2-3-16-4-6-22-7-5-16/h8-9H,2-7H2,1H3,(H,14,15)
InChIKeyHLRYXKZSCWWVLY-UHFFFAOYSA-N
MW310.31 g/mol
LogP0.52
Rot. Bonds6

About methyl 6-(2-morpholin-4-ylethylamino)-5-nitropyridine-3-carboxylate

methyl 6-(2-morpholin-4-ylethylamino)-5-nitropyridine-3-carboxylate (PubChem CID 24903170) has the molecular formula C13H18N4O5 and a molecular weight of 310.31 g/mol. Its IUPAC name is methyl 6-(2-morpholin-4-ylethylamino)-5-nitropyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-morpholin-4-ylethylamino)-5-nitropyridine-3-carboxylate
PubChem CID24903170
Molecular FormulaC13H18N4O5
Molecular Weight310.31 g/mol
Exact Mass310.13
IUPAC Namemethyl 6-(2-morpholin-4-ylethylamino)-5-nitropyridine-3-carboxylate
SMILESCOC(=O)c1cnc(NCCN2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H18N4O5/c1-21-13(18)10-8-11(17(19)20)12(15-9-10)14-2-3-16-4-6-22-7-5-16/h8-9H,2-7H2,1H3,(H,14,15)
InChIKeyHLRYXKZSCWWVLY-UHFFFAOYSA-N
XLogP0.52
TPSA106.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze methyl 6-(2-morpholin-4-ylethylamino)-5-nitropyridine-3-carboxylate 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

methyl 4-[6-(2-morpholin-4-ylethylamino)-5-nitropyrimidin-4-yl]oxybenzoate
CID 23483432
methyl 6-[(3,5-difluorophenyl)methylamino]-5-nitropyridine-3-carboxylate
CID 24903377
6-(2-morpholin-4-ylethylamino)-5-nitropyridine-2-carboxylic acid
CID 114403496
methyl 3-hydroxy-5-(2-morpholin-4-ylethylamino)benzoate
CID 163959263
methyl 4-[6-(3-morpholin-4-ylpropylamino)-5-nitropyrimidin-4-yl]oxybenzoate
CID 23483309
6-N-(3-methoxypropyl)-4-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 22526593
5-nitro-6-[2-(oxolan-2-yl)ethylamino]pyridine-3-carboxylic acid
CID 81438043
methyl 6-[(3,4-difluorophenyl)methylamino]-5-nitropyridine-3-carboxylate
CID 24903385
6-(2-aminoethylamino)-5-nitropyridine-3-carboxylic acid
CID 81437835
6-[2-(2-methylpyrazol-3-yl)ethylamino]-5-nitropyridine-3-carboxylic acid
CID 103007389
4-methyl-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine
CID 24903164
3-ethoxy-N-(2-morpholin-4-ylethyl)-4-nitroaniline
CID 63671087

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-morpholin-4-ylethylamino)-5-nitropyridine-3-carboxylate?
The IUPAC name of methyl 6-(2-morpholin-4-ylethylamino)-5-nitropyridine-3-carboxylate (CID 24903170) is methyl 6-(2-morpholin-4-ylethylamino)-5-nitropyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(2-morpholin-4-ylethylamino)-5-nitropyridine-3-carboxylate?
The canonical SMILES for methyl 6-(2-morpholin-4-ylethylamino)-5-nitropyridine-3-carboxylate is COC(=O)c1cnc(NCCN2CCOCC2)c([N+](=O)[O-])c1.
What is the InChIKey of methyl 6-(2-morpholin-4-ylethylamino)-5-nitropyridine-3-carboxylate?
The InChIKey is HLRYXKZSCWWVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O5/c1-21-13(18)10-8-11(17(19)20)12(15-9-10)14-2-3-16-4-6-22-7-5-16/h8-9H,2-7H2,1H3,(H,14,15).
What are the key properties of methyl 6-(2-morpholin-4-ylethylamino)-5-nitropyridine-3-carboxylate?
methyl 6-(2-morpholin-4-ylethylamino)-5-nitropyridine-3-carboxylate has a molecular weight of 310.31 g/mol, XLogP of 0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-morpholin-4-ylethylamino)-5-nitropyridine-3-carboxylate is sourced from PubChem (CID 24903170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).