2-N-ethyl-6-N-(3-methoxypropyl)-4-nitropyridine-2,6-diamine

C11H18N4O3 — CID 114071057

IUPAC2-N-ethyl-6-N-(3-methoxypropyl)-4-nitropyridine-2,6-diamine
SMILESCCNc1cc([N+](=O)[O-])cc(NCCCOC)n1
InChIInChI=1S/C11H18N4O3/c1-3-12-10-7-9(15(16)17)8-11(14-10)13-5-4-6-18-2/h7-8H,3-6H2,1-2H3,(H2,12,13,14)
InChIKeyJPJCEDUPFISRHO-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.87
Rot. Bonds8

About 2-N-ethyl-6-N-(3-methoxypropyl)-4-nitropyridine-2,6-diamine

2-N-ethyl-6-N-(3-methoxypropyl)-4-nitropyridine-2,6-diamine (PubChem CID 114071057) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-N-ethyl-6-N-(3-methoxypropyl)-4-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-(3-methoxypropyl)-4-nitropyridine-2,6-diamine
PubChem CID114071057
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-N-ethyl-6-N-(3-methoxypropyl)-4-nitropyridine-2,6-diamine
SMILESCCNc1cc([N+](=O)[O-])cc(NCCCOC)n1
InChIInChI=1S/C11H18N4O3/c1-3-12-10-7-9(15(16)17)8-11(14-10)13-5-4-6-18-2/h7-8H,3-6H2,1-2H3,(H2,12,13,14)
InChIKeyJPJCEDUPFISRHO-UHFFFAOYSA-N
XLogP1.87
TPSA89.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.87
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'}

Analyze 2-N-ethyl-6-N-(3-methoxypropyl)-4-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

2-N-ethyl-6-N-(3-methylbutyl)-4-nitropyridine-2,6-diamine
CID 114071050
6-N-(2,2-dimethylpropyl)-2-N-ethyl-4-nitropyridine-2,6-diamine
CID 114071107
6-N-(cyclopropylmethyl)-2-N-ethyl-4-nitropyridine-2,6-diamine
CID 114071044
N-ethyl-2-[[6-(ethylamino)-4-nitro-2-pyridinyl]amino]ethanesulfonamide
CID 106343389
2-N-ethyl-6-N-(1-methylcyclopropyl)-4-nitropyridine-2,6-diamine
CID 114071266
2-(4-methoxybutylamino)-6-nitroquinoline-4-carbonitrile
CID 133317091
2,6-difluoro-N-(4-methoxybutyl)-4-nitroaniline
CID 103828455
N-(3-methoxypropyl)-3-methyl-5-nitropyridin-2-amine
CID 62477722
6-N-(3-methylpentan-3-yl)-4-nitro-2-N-propylpyridine-2,6-diamine
CID 106332099
N-[3-(2-methoxyethoxy)propyl]-5-nitropyridin-2-amine
CID 103604260
3-ethoxy-N-(4-methoxybutyl)-5-nitroaniline
CID 80725084
3-[[6-(ethylamino)-4-nitro-2-pyridinyl]sulfanyl]propan-1-ol
CID 114071403

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-(3-methoxypropyl)-4-nitropyridine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-(3-methoxypropyl)-4-nitropyridine-2,6-diamine (CID 114071057) is 2-N-ethyl-6-N-(3-methoxypropyl)-4-nitropyridine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-(3-methoxypropyl)-4-nitropyridine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-(3-methoxypropyl)-4-nitropyridine-2,6-diamine is CCNc1cc([N+](=O)[O-])cc(NCCCOC)n1.
What is the InChIKey of 2-N-ethyl-6-N-(3-methoxypropyl)-4-nitropyridine-2,6-diamine?
The InChIKey is JPJCEDUPFISRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-3-12-10-7-9(15(16)17)8-11(14-10)13-5-4-6-18-2/h7-8H,3-6H2,1-2H3,(H2,12,13,14).
What are the key properties of 2-N-ethyl-6-N-(3-methoxypropyl)-4-nitropyridine-2,6-diamine?
2-N-ethyl-6-N-(3-methoxypropyl)-4-nitropyridine-2,6-diamine has a molecular weight of 254.29 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-N-(3-methoxypropyl)-4-nitropyridine-2,6-diamine is sourced from PubChem (CID 114071057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).