1-methoxy-3-[methyl-(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol

C11H17N3O4 — CID 80718215

IUPAC1-methoxy-3-[methyl-(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol
SMILESCOCC(O)CN(C)c1ccc([N+](=O)[O-])c(C)n1
InChIInChI=1S/C11H17N3O4/c1-8-10(14(16)17)4-5-11(12-8)13(2)6-9(15)7-18-3/h4-5,9,15H,6-7H2,1-3H3
InChIKeyVLASQFSXGOMIIO-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.74
Rot. Bonds6

About 1-methoxy-3-[methyl-(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol

1-methoxy-3-[methyl-(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol (PubChem CID 80718215) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 1-methoxy-3-[methyl-(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[methyl-(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol
PubChem CID80718215
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name1-methoxy-3-[methyl-(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol
SMILESCOCC(O)CN(C)c1ccc([N+](=O)[O-])c(C)n1
InChIInChI=1S/C11H17N3O4/c1-8-10(14(16)17)4-5-11(12-8)13(2)6-9(15)7-18-3/h4-5,9,15H,6-7H2,1-3H3
InChIKeyVLASQFSXGOMIIO-UHFFFAOYSA-N
XLogP0.74
TPSA88.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.74
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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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[methyl-(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[methyl-(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol (CID 80718215) is 1-methoxy-3-[methyl-(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[methyl-(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[methyl-(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol is COCC(O)CN(C)c1ccc([N+](=O)[O-])c(C)n1.
What is the InChIKey of 1-methoxy-3-[methyl-(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol?
The InChIKey is VLASQFSXGOMIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-8-10(14(16)17)4-5-11(12-8)13(2)6-9(15)7-18-3/h4-5,9,15H,6-7H2,1-3H3.
What are the key properties of 1-methoxy-3-[methyl-(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol?
1-methoxy-3-[methyl-(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol has a molecular weight of 255.27 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[methyl-(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol is sourced from PubChem (CID 80718215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).