N-ethyl-5-nitro-6-octan-2-yloxypyridin-2-amine

C15H25N3O3 — CID 80842189

IUPACN-ethyl-5-nitro-6-octan-2-yloxypyridin-2-amine
SMILESCCCCCCC(C)Oc1nc(NCC)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H25N3O3/c1-4-6-7-8-9-12(3)21-15-13(18(19)20)10-11-14(17-15)16-5-2/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyXOJZJYHDSMIHMI-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.16
Rot. Bonds10

About N-ethyl-5-nitro-6-octan-2-yloxypyridin-2-amine

N-ethyl-5-nitro-6-octan-2-yloxypyridin-2-amine (PubChem CID 80842189) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-ethyl-5-nitro-6-octan-2-yloxypyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-nitro-6-octan-2-yloxypyridin-2-amine
PubChem CID80842189
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC NameN-ethyl-5-nitro-6-octan-2-yloxypyridin-2-amine
SMILESCCCCCCC(C)Oc1nc(NCC)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H25N3O3/c1-4-6-7-8-9-12(3)21-15-13(18(19)20)10-11-14(17-15)16-5-2/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyXOJZJYHDSMIHMI-UHFFFAOYSA-N
XLogP4.16
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-ethyl-5-nitro-6-octan-2-yloxypyridin-2-amine 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-butoxyethoxy)-N-ethyl-5-nitropyridin-2-amine
CID 80861686
6-N-ethyl-2-N-methyl-3-nitro-2-N-pentylpyridine-2,6-diamine
CID 80782981
2-N-butan-2-yl-2-N-butyl-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80788368
6-butylsulfanyl-N-ethyl-5-nitropyridin-2-amine
CID 80883977
N-ethyl-6-[2-(2-methylpropoxy)ethoxy]-5-nitropyridin-2-amine
CID 106451264
1-(2-nitro-4-octan-2-yloxyphenyl)ethanone
CID 104529829
2-[[6-(ethylamino)-3-nitro-2-pyridinyl]oxy]ethanol
CID 80859500
6-N-ethyl-2-N-(5-methylhexan-2-yl)-3-nitropyridine-2,6-diamine
CID 80838459
2-nitro-4-octan-2-yloxyphenol
CID 22922931
4-nitro-3-[(2S)-octan-2-yl]oxyaniline
CID 140969762
N-ethyl-6-(3-methylbutylsulfanyl)-5-nitropyridin-2-amine
CID 107766034
3-nitro-6-(octan-2-ylamino)pyridine-2-carbonitrile
CID 103471442

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-nitro-6-octan-2-yloxypyridin-2-amine?
The IUPAC name of N-ethyl-5-nitro-6-octan-2-yloxypyridin-2-amine (CID 80842189) is N-ethyl-5-nitro-6-octan-2-yloxypyridin-2-amine.
What is the SMILES notation for N-ethyl-5-nitro-6-octan-2-yloxypyridin-2-amine?
The canonical SMILES for N-ethyl-5-nitro-6-octan-2-yloxypyridin-2-amine is CCCCCCC(C)Oc1nc(NCC)ccc1[N+](=O)[O-].
What is the InChIKey of N-ethyl-5-nitro-6-octan-2-yloxypyridin-2-amine?
The InChIKey is XOJZJYHDSMIHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-4-6-7-8-9-12(3)21-15-13(18(19)20)10-11-14(17-15)16-5-2/h10-12H,4-9H2,1-3H3,(H,16,17).
What are the key properties of N-ethyl-5-nitro-6-octan-2-yloxypyridin-2-amine?
N-ethyl-5-nitro-6-octan-2-yloxypyridin-2-amine has a molecular weight of 295.38 g/mol, XLogP of 4.16, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-nitro-6-octan-2-yloxypyridin-2-amine is sourced from PubChem (CID 80842189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).