2-[(6-methoxy-3-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol

C11H17N3O4 — CID 112703231

IUPAC2-[(6-methoxy-3-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol
SMILESCOc1ccc([N+](=O)[O-])c(NC(CO)C(C)C)n1
InChIInChI=1S/C11H17N3O4/c1-7(2)8(6-15)12-11-9(14(16)17)4-5-10(13-11)18-3/h4-5,7-8,15H,6H2,1-3H3,(H,12,13)
InChIKeyCWXWPKVVWALIDL-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.43
Rot. Bonds6

About 2-[(6-methoxy-3-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol

2-[(6-methoxy-3-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol (PubChem CID 112703231) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-[(6-methoxy-3-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(6-methoxy-3-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol
PubChem CID112703231
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-[(6-methoxy-3-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol
SMILESCOc1ccc([N+](=O)[O-])c(NC(CO)C(C)C)n1
InChIInChI=1S/C11H17N3O4/c1-7(2)8(6-15)12-11-9(14(16)17)4-5-10(13-11)18-3/h4-5,7-8,15H,6H2,1-3H3,(H,12,13)
InChIKeyCWXWPKVVWALIDL-UHFFFAOYSA-N
XLogP1.43
TPSA97.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.43
H-Bond Donors ≤ 52
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'}

Analyze 2-[(6-methoxy-3-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol 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-methoxy-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine
CID 79883263
methyl 6-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-nitropyridine-2-carboxylate
CID 114404287
6-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-nitropyridine-2-carboxylic acid
CID 114404286
(2S)-2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-3-methylbutan-1-ol
CID 80848436
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide
CID 115321439
N-but-3-yn-2-yl-6-methoxy-3-nitropyridin-2-amine
CID 114418080
3-[(6-methoxy-3-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
CID 70978458
4-methoxy-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]butan-1-ol
CID 106157692
6-methoxy-N-(1-methylsulfinylpropan-2-yl)-3-nitropyridin-2-amine
CID 113413444
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanoic acid
CID 113286704
6-methoxy-3-nitro-N-(1-pyridin-4-ylethyl)pyridin-2-amine
CID 115321436
2-[(2-amino-5-nitropyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 114045446

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-3-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol?
The IUPAC name of 2-[(6-methoxy-3-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol (CID 112703231) is 2-[(6-methoxy-3-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[(6-methoxy-3-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[(6-methoxy-3-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol is COc1ccc([N+](=O)[O-])c(NC(CO)C(C)C)n1.
What is the InChIKey of 2-[(6-methoxy-3-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol?
The InChIKey is CWXWPKVVWALIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-7(2)8(6-15)12-11-9(14(16)17)4-5-10(13-11)18-3/h4-5,7-8,15H,6H2,1-3H3,(H,12,13).
What are the key properties of 2-[(6-methoxy-3-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol?
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol has a molecular weight of 255.27 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-3-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 112703231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).