2-N-(2-ethoxyethyl)-2-N-ethyl-6-N-methyl-3-nitropyridine-2,6-diamine

C12H20N4O3 — CID 80834593

IUPAC2-N-(2-ethoxyethyl)-2-N-ethyl-6-N-methyl-3-nitropyridine-2,6-diamine
SMILESCCOCCN(CC)c1nc(NC)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H20N4O3/c1-4-15(8-9-19-5-2)12-10(16(17)18)6-7-11(13-3)14-12/h6-7H,4-5,8-9H2,1-3H3,(H,13,14)
InChIKeyCUJHPESPKQHHLZ-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.89
Rot. Bonds8

About 2-N-(2-ethoxyethyl)-2-N-ethyl-6-N-methyl-3-nitropyridine-2,6-diamine

2-N-(2-ethoxyethyl)-2-N-ethyl-6-N-methyl-3-nitropyridine-2,6-diamine (PubChem CID 80834593) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-N-(2-ethoxyethyl)-2-N-ethyl-6-N-methyl-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-(2-ethoxyethyl)-2-N-ethyl-6-N-methyl-3-nitropyridine-2,6-diamine
PubChem CID80834593
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name2-N-(2-ethoxyethyl)-2-N-ethyl-6-N-methyl-3-nitropyridine-2,6-diamine
SMILESCCOCCN(CC)c1nc(NC)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H20N4O3/c1-4-15(8-9-19-5-2)12-10(16(17)18)6-7-11(13-3)14-12/h6-7H,4-5,8-9H2,1-3H3,(H,13,14)
InChIKeyCUJHPESPKQHHLZ-UHFFFAOYSA-N
XLogP1.89
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
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'}

Analyze 2-N-(2-ethoxyethyl)-2-N-ethyl-6-N-methyl-3-nitropyridine-2,6-diamine 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

N-methyl-2-[[6-(methylamino)-3-nitro-2-pyridinyl]-propylamino]acetamide
CID 80806509
6-N-(2-ethoxyethyl)-6-N-ethyl-2-N-methylpyridine-2,6-diamine
CID 80834417
3-[methyl-[6-(methylamino)-3-nitro-2-pyridinyl]amino]propanenitrile
CID 80753426
2-N-(4-methoxyphenyl)-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine
CID 71523739
N,N-dibutyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80916699
1-methoxy-3-[methyl-[6-(methylamino)-3-nitro-2-pyridinyl]amino]propan-2-ol
CID 80810495
2-[(6-amino-3-nitro-2-pyridinyl)-ethylamino]ethanol
CID 80790273
2-N-cyclopentyl-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine
CID 80774638
2-N-[(4-bromophenyl)methyl]-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine
CID 80777619
2-N-[2-(dimethylamino)ethyl]-6-N-ethyl-3-nitro-2-N-propylpyridine-2,6-diamine
CID 80796707
2-[(6-hydrazinyl-3-nitro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol
CID 80898902
2-[[3-nitro-6-(propylamino)-2-pyridinyl]-propylamino]ethanol
CID 80795713

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethoxyethyl)-2-N-ethyl-6-N-methyl-3-nitropyridine-2,6-diamine?
The IUPAC name of 2-N-(2-ethoxyethyl)-2-N-ethyl-6-N-methyl-3-nitropyridine-2,6-diamine (CID 80834593) is 2-N-(2-ethoxyethyl)-2-N-ethyl-6-N-methyl-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 2-N-(2-ethoxyethyl)-2-N-ethyl-6-N-methyl-3-nitropyridine-2,6-diamine?
The canonical SMILES for 2-N-(2-ethoxyethyl)-2-N-ethyl-6-N-methyl-3-nitropyridine-2,6-diamine is CCOCCN(CC)c1nc(NC)ccc1[N+](=O)[O-].
What is the InChIKey of 2-N-(2-ethoxyethyl)-2-N-ethyl-6-N-methyl-3-nitropyridine-2,6-diamine?
The InChIKey is CUJHPESPKQHHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-4-15(8-9-19-5-2)12-10(16(17)18)6-7-11(13-3)14-12/h6-7H,4-5,8-9H2,1-3H3,(H,13,14).
What are the key properties of 2-N-(2-ethoxyethyl)-2-N-ethyl-6-N-methyl-3-nitropyridine-2,6-diamine?
2-N-(2-ethoxyethyl)-2-N-ethyl-6-N-methyl-3-nitropyridine-2,6-diamine has a molecular weight of 268.32 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethoxyethyl)-2-N-ethyl-6-N-methyl-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 80834593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).