6-N-(3,5-dimethylphenyl)-2-N-(2-morpholin-4-ylethyl)-3-nitropyridine-2,6-diamine

C19H25N5O3 — CID 155805682

IUPAC6-N-(3,5-dimethylphenyl)-2-N-(2-morpholin-4-ylethyl)-3-nitropyridine-2,6-diamine
SMILESCc1cc(C)cc(Nc2ccc([N+](=O)[O-])c(NCCN3CCOCC3)n2)c1
InChIInChI=1S/C19H25N5O3/c1-14-11-15(2)13-16(12-14)21-18-4-3-17(24(25)26)19(22-18)20-5-6-23-7-9-27-10-8-23/h3-4,11-13H,5-10H2,1-2H3,(H2,20,21,22)
InChIKeyUIZNRSGQTXFMOF-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.09
Rot. Bonds7

About 6-N-(3,5-dimethylphenyl)-2-N-(2-morpholin-4-ylethyl)-3-nitropyridine-2,6-diamine

6-N-(3,5-dimethylphenyl)-2-N-(2-morpholin-4-ylethyl)-3-nitropyridine-2,6-diamine (PubChem CID 155805682) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 6-N-(3,5-dimethylphenyl)-2-N-(2-morpholin-4-ylethyl)-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(3,5-dimethylphenyl)-2-N-(2-morpholin-4-ylethyl)-3-nitropyridine-2,6-diamine
PubChem CID155805682
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name6-N-(3,5-dimethylphenyl)-2-N-(2-morpholin-4-ylethyl)-3-nitropyridine-2,6-diamine
SMILESCc1cc(C)cc(Nc2ccc([N+](=O)[O-])c(NCCN3CCOCC3)n2)c1
InChIInChI=1S/C19H25N5O3/c1-14-11-15(2)13-16(12-14)21-18-4-3-17(24(25)26)19(22-18)20-5-6-23-7-9-27-10-8-23/h3-4,11-13H,5-10H2,1-2H3,(H2,20,21,22)
InChIKeyUIZNRSGQTXFMOF-UHFFFAOYSA-N
XLogP3.09
TPSA92.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 6-N-(3,5-dimethylphenyl)-2-N-(2-morpholin-4-ylethyl)-3-nitropyridine-2,6-diamine?
The IUPAC name of 6-N-(3,5-dimethylphenyl)-2-N-(2-morpholin-4-ylethyl)-3-nitropyridine-2,6-diamine (CID 155805682) is 6-N-(3,5-dimethylphenyl)-2-N-(2-morpholin-4-ylethyl)-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 6-N-(3,5-dimethylphenyl)-2-N-(2-morpholin-4-ylethyl)-3-nitropyridine-2,6-diamine?
The canonical SMILES for 6-N-(3,5-dimethylphenyl)-2-N-(2-morpholin-4-ylethyl)-3-nitropyridine-2,6-diamine is Cc1cc(C)cc(Nc2ccc([N+](=O)[O-])c(NCCN3CCOCC3)n2)c1.
What is the InChIKey of 6-N-(3,5-dimethylphenyl)-2-N-(2-morpholin-4-ylethyl)-3-nitropyridine-2,6-diamine?
The InChIKey is UIZNRSGQTXFMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-14-11-15(2)13-16(12-14)21-18-4-3-17(24(25)26)19(22-18)20-5-6-23-7-9-27-10-8-23/h3-4,11-13H,5-10H2,1-2H3,(H2,20,21,22).
What are the key properties of 6-N-(3,5-dimethylphenyl)-2-N-(2-morpholin-4-ylethyl)-3-nitropyridine-2,6-diamine?
6-N-(3,5-dimethylphenyl)-2-N-(2-morpholin-4-ylethyl)-3-nitropyridine-2,6-diamine has a molecular weight of 371.44 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3,5-dimethylphenyl)-2-N-(2-morpholin-4-ylethyl)-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 155805682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).