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

C11H17N3O5 — CID 106157692

IUPAC4-methoxy-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]butan-1-ol
SMILESCOCC(CCO)Nc1nc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H17N3O5/c1-18-7-8(5-6-15)12-11-9(14(16)17)3-4-10(13-11)19-2/h3-4,8,15H,5-7H2,1-2H3,(H,12,13)
InChIKeyNMQJVZRYXNWJNK-UHFFFAOYSA-N
MW271.27 g/mol
LogP0.81
Rot. Bonds8

About 4-methoxy-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]butan-1-ol

4-methoxy-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]butan-1-ol (PubChem CID 106157692) has the molecular formula C11H17N3O5 and a molecular weight of 271.27 g/mol. Its IUPAC name is 4-methoxy-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]butan-1-ol.

Molecular Properties

Compound Name4-methoxy-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]butan-1-ol
PubChem CID106157692
Molecular FormulaC11H17N3O5
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC Name4-methoxy-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]butan-1-ol
SMILESCOCC(CCO)Nc1nc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H17N3O5/c1-18-7-8(5-6-15)12-11-9(14(16)17)3-4-10(13-11)19-2/h3-4,8,15H,5-7H2,1-2H3,(H,12,13)
InChIKeyNMQJVZRYXNWJNK-UHFFFAOYSA-N
XLogP0.81
TPSA106.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 50.81
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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Related Compounds

3-[(6-chloro-3-nitro-2-pyridinyl)amino]-4-methoxybutan-1-ol
CID 106162464
2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methoxypropan-1-ol
CID 106198965
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 112703231
1-methoxy-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propan-2-ol
CID 79889536
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanoic acid
CID 113286704
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide
CID 115321439
6-methoxy-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine
CID 79883263
N-but-3-yn-2-yl-6-methoxy-3-nitropyridin-2-amine
CID 114418080
6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexan-1-ol
CID 103918200
3-[(6-methoxy-3-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
CID 70978458
6-[(4-hydroxy-1-methoxybutan-2-yl)amino]-5-nitropyridine-3-carbonitrile
CID 106158109
6-methoxy-N-(1-methylsulfinylpropan-2-yl)-3-nitropyridin-2-amine
CID 113413444

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]butan-1-ol?
The IUPAC name of 4-methoxy-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]butan-1-ol (CID 106157692) is 4-methoxy-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]butan-1-ol.
What is the SMILES notation for 4-methoxy-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]butan-1-ol?
The canonical SMILES for 4-methoxy-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]butan-1-ol is COCC(CCO)Nc1nc(OC)ccc1[N+](=O)[O-].
What is the InChIKey of 4-methoxy-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]butan-1-ol?
The InChIKey is NMQJVZRYXNWJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5/c1-18-7-8(5-6-15)12-11-9(14(16)17)3-4-10(13-11)19-2/h3-4,8,15H,5-7H2,1-2H3,(H,12,13).
What are the key properties of 4-methoxy-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]butan-1-ol?
4-methoxy-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]butan-1-ol has a molecular weight of 271.27 g/mol, XLogP of 0.81, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]butan-1-ol is sourced from PubChem (CID 106157692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).