3-[(6-amino-5-nitro-2-pyridinyl)-ethylamino]-2-methylpropanenitrile

C11H15N5O2 — CID 79826290

IUPAC3-[(6-amino-5-nitro-2-pyridinyl)-ethylamino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)c1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C11H15N5O2/c1-3-15(7-8(2)6-12)10-5-4-9(16(17)18)11(13)14-10/h4-5,8H,3,7H2,1-2H3,(H2,13,14)
InChIKeyZDEZWOONJFZRPJ-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.56
Rot. Bonds5

About 3-[(6-amino-5-nitro-2-pyridinyl)-ethylamino]-2-methylpropanenitrile

3-[(6-amino-5-nitro-2-pyridinyl)-ethylamino]-2-methylpropanenitrile (PubChem CID 79826290) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-[(6-amino-5-nitro-2-pyridinyl)-ethylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[(6-amino-5-nitro-2-pyridinyl)-ethylamino]-2-methylpropanenitrile
PubChem CID79826290
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name3-[(6-amino-5-nitro-2-pyridinyl)-ethylamino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)c1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C11H15N5O2/c1-3-15(7-8(2)6-12)10-5-4-9(16(17)18)11(13)14-10/h4-5,8H,3,7H2,1-2H3,(H2,13,14)
InChIKeyZDEZWOONJFZRPJ-UHFFFAOYSA-N
XLogP1.56
TPSA109.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(6-chloro-3-nitro-2-pyridinyl)-ethylamino]-2-methylpropanenitrile
CID 54988188
3-[ethyl-(4-methyl-5-nitro-2-pyridinyl)amino]-2-methylpropanenitrile
CID 79172605
methyl 6-[2-cyanopropyl(ethyl)amino]-5-nitropyridine-2-carboxylate
CID 114403889
3-[(6-aminoquinolin-2-yl)-ethylamino]-2-methylpropanenitrile
CID 54988234
3-[(5-amino-6-propoxy-2-pyridinyl)-ethylamino]-2-methylpropanenitrile
CID 54988134
6-N-ethyl-3-nitro-6-N-(piperidin-2-ylmethyl)pyridine-2,6-diamine
CID 106641902
3-[(5-aminopyrazin-2-yl)-ethylamino]-2-methylpropanenitrile
CID 80653025
3-[ethyl-(6-methyl-5-nitro-2-pyridinyl)amino]propanenitrile
CID 80711760
methyl 3-[(6-amino-5-nitro-2-pyridinyl)-methylamino]-2-methylpropanoate
CID 79815567
6-N-(3-amino-2,2-dimethylpropyl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 79816318
3-[4-(1-aminoethyl)-N-ethylanilino]-2-methylpropanenitrile
CID 54988524
3-(2,6-dichloro-N-ethyl-4-nitroanilino)-2-methylpropanenitrile
CID 106891217

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-5-nitro-2-pyridinyl)-ethylamino]-2-methylpropanenitrile?
The IUPAC name of 3-[(6-amino-5-nitro-2-pyridinyl)-ethylamino]-2-methylpropanenitrile (CID 79826290) is 3-[(6-amino-5-nitro-2-pyridinyl)-ethylamino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[(6-amino-5-nitro-2-pyridinyl)-ethylamino]-2-methylpropanenitrile?
The canonical SMILES for 3-[(6-amino-5-nitro-2-pyridinyl)-ethylamino]-2-methylpropanenitrile is CCN(CC(C)C#N)c1ccc([N+](=O)[O-])c(N)n1.
What is the InChIKey of 3-[(6-amino-5-nitro-2-pyridinyl)-ethylamino]-2-methylpropanenitrile?
The InChIKey is ZDEZWOONJFZRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-3-15(7-8(2)6-12)10-5-4-9(16(17)18)11(13)14-10/h4-5,8H,3,7H2,1-2H3,(H2,13,14).
What are the key properties of 3-[(6-amino-5-nitro-2-pyridinyl)-ethylamino]-2-methylpropanenitrile?
3-[(6-amino-5-nitro-2-pyridinyl)-ethylamino]-2-methylpropanenitrile has a molecular weight of 249.27 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-5-nitro-2-pyridinyl)-ethylamino]-2-methylpropanenitrile is sourced from PubChem (CID 79826290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).