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

C11H18N4O4 — CID 106163078

IUPAC4-methoxy-3-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]butan-1-ol
SMILESCNc1cc([N+](=O)[O-])cc(NC(CCO)COC)n1
InChIInChI=1S/C11H18N4O4/c1-12-10-5-9(15(17)18)6-11(14-10)13-8(3-4-16)7-19-2/h5-6,8,16H,3-4,7H2,1-2H3,(H2,12,13,14)
InChIKeyVQTTZEDJRMAKFM-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.84
Rot. Bonds8

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

4-methoxy-3-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]butan-1-ol (PubChem CID 106163078) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-methoxy-3-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]butan-1-ol.

Molecular Properties

Compound Name4-methoxy-3-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]butan-1-ol
PubChem CID106163078
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name4-methoxy-3-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]butan-1-ol
SMILESCNc1cc([N+](=O)[O-])cc(NC(CCO)COC)n1
InChIInChI=1S/C11H18N4O4/c1-12-10-5-9(15(17)18)6-11(14-10)13-8(3-4-16)7-19-2/h5-6,8,16H,3-4,7H2,1-2H3,(H2,12,13,14)
InChIKeyVQTTZEDJRMAKFM-UHFFFAOYSA-N
XLogP0.84
TPSA109.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.84
H-Bond Donors ≤ 53
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

6-N-(1-methoxypropan-2-yl)-2-N-methyl-4-nitropyridine-2,6-diamine
CID 114071046
4-methoxy-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol
CID 114152250
4-methoxy-3-(3-methyl-5-nitroanilino)butan-1-ol
CID 106157996
3-(2-iodo-4-nitroanilino)-4-methoxybutan-1-ol
CID 106157577
4-methoxy-3-[(5-nitro-1,3-benzoxazol-2-yl)amino]butan-1-ol
CID 106162041
2-methyl-5-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]pentan-1-ol
CID 106163269
3-[(6-chloro-3-nitro-2-pyridinyl)amino]-4-methoxybutan-1-ol
CID 106162464
4-methoxy-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]butan-1-ol
CID 106157692
3-methoxy-2-[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 114157112
3-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-5-nitrobenzamide
CID 103850791
4-methoxy-3-[(2-methylpyrimidin-4-yl)amino]butan-1-ol
CID 103703344
2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N-methylpyrimidine-4,6-diamine
CID 80941879

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]butan-1-ol?
The IUPAC name of 4-methoxy-3-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]butan-1-ol (CID 106163078) is 4-methoxy-3-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]butan-1-ol.
What is the SMILES notation for 4-methoxy-3-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]butan-1-ol?
The canonical SMILES for 4-methoxy-3-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]butan-1-ol is CNc1cc([N+](=O)[O-])cc(NC(CCO)COC)n1.
What is the InChIKey of 4-methoxy-3-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]butan-1-ol?
The InChIKey is VQTTZEDJRMAKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-12-10-5-9(15(17)18)6-11(14-10)13-8(3-4-16)7-19-2/h5-6,8,16H,3-4,7H2,1-2H3,(H2,12,13,14).
What are the key properties of 4-methoxy-3-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]butan-1-ol?
4-methoxy-3-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]butan-1-ol has a molecular weight of 270.29 g/mol, XLogP of 0.84, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]butan-1-ol is sourced from PubChem (CID 106163078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).