2-methyl-1-[methyl-(4-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol

C11H17N3O3 — CID 78966791

IUPAC2-methyl-1-[methyl-(4-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol
SMILESCc1ccnc(N(C)CC(C)(C)O)c1[N+](=O)[O-]
InChIInChI=1S/C11H17N3O3/c1-8-5-6-12-10(9(8)14(16)17)13(4)7-11(2,3)15/h5-6,15H,7H2,1-4H3
InChIKeyFPQWGZCIAULFFU-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.51
Rot. Bonds4

About 2-methyl-1-[methyl-(4-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol

2-methyl-1-[methyl-(4-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol (PubChem CID 78966791) has the molecular formula C11H17N3O3 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-methyl-1-[methyl-(4-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[methyl-(4-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol
PubChem CID78966791
Molecular FormulaC11H17N3O3
Molecular Weight239.28 g/mol
Exact Mass239.13
IUPAC Name2-methyl-1-[methyl-(4-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol
SMILESCc1ccnc(N(C)CC(C)(C)O)c1[N+](=O)[O-]
InChIInChI=1S/C11H17N3O3/c1-8-5-6-12-10(9(8)14(16)17)13(4)7-11(2,3)15/h5-6,15H,7H2,1-4H3
InChIKeyFPQWGZCIAULFFU-UHFFFAOYSA-N
XLogP1.51
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methyl-1-[methyl-(4-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl-(4-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[methyl-(4-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol (CID 78966791) is 2-methyl-1-[methyl-(4-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[methyl-(4-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[methyl-(4-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol is Cc1ccnc(N(C)CC(C)(C)O)c1[N+](=O)[O-].
What is the InChIKey of 2-methyl-1-[methyl-(4-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol?
The InChIKey is FPQWGZCIAULFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-8-5-6-12-10(9(8)14(16)17)13(4)7-11(2,3)15/h5-6,15H,7H2,1-4H3.
What are the key properties of 2-methyl-1-[methyl-(4-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol?
2-methyl-1-[methyl-(4-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol has a molecular weight of 239.28 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl-(4-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol is sourced from PubChem (CID 78966791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).