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

C11H18N4O3 — CID 80850424

IUPAC3-methyl-4-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]butan-1-ol
SMILESCNc1ccc([N+](=O)[O-])c(NCC(C)CCO)n1
InChIInChI=1S/C11H18N4O3/c1-8(5-6-16)7-13-11-9(15(17)18)3-4-10(12-2)14-11/h3-4,8,16H,5-7H2,1-2H3,(H2,12,13,14)
InChIKeyGZTBHQIOTYPITL-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.46
Rot. Bonds7

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

3-methyl-4-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]butan-1-ol (PubChem CID 80850424) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-methyl-4-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-4-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]butan-1-ol
PubChem CID80850424
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name3-methyl-4-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]butan-1-ol
SMILESCNc1ccc([N+](=O)[O-])c(NCC(C)CCO)n1
InChIInChI=1S/C11H18N4O3/c1-8(5-6-16)7-13-11-9(15(17)18)3-4-10(12-2)14-11/h3-4,8,16H,5-7H2,1-2H3,(H2,12,13,14)
InChIKeyGZTBHQIOTYPITL-UHFFFAOYSA-N
XLogP1.46
TPSA100.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.46
H-Bond Donors ≤ 53
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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Related Compounds

6-N-methyl-2-N-(7-methyloctyl)-3-nitropyridine-2,6-diamine
CID 107818912
3-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]pentan-1-ol
CID 80852386
3-methyl-3-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]pentan-1-ol
CID 106179181
3-[(6-amino-3-nitro-2-pyridinyl)amino]-2-methylpropan-1-ol
CID 80841044
3-[[(6-methyl-3-nitro-2-pyridinyl)amino]methyl]pentan-1-ol
CID 81138189
6-N-methyl-2-N-(3-methylsulfonylpropyl)-3-nitropyridine-2,6-diamine
CID 80811993
3-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]butan-1-ol
CID 83179472
6-N-methyl-3-nitro-2-N-(5,5,5-trifluoropentyl)pyridine-2,6-diamine
CID 115523197
2-N-(2-cyclopropylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80846872
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propane-1,2-diol
CID 80922216
1-(dimethylamino)-2-methyl-3-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]propan-2-ol
CID 106150176
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propan-1-ol
CID 80943307

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]butan-1-ol?
The IUPAC name of 3-methyl-4-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]butan-1-ol (CID 80850424) is 3-methyl-4-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]butan-1-ol.
What is the SMILES notation for 3-methyl-4-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]butan-1-ol?
The canonical SMILES for 3-methyl-4-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]butan-1-ol is CNc1ccc([N+](=O)[O-])c(NCC(C)CCO)n1.
What is the InChIKey of 3-methyl-4-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]butan-1-ol?
The InChIKey is GZTBHQIOTYPITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-8(5-6-16)7-13-11-9(15(17)18)3-4-10(12-2)14-11/h3-4,8,16H,5-7H2,1-2H3,(H2,12,13,14).
What are the key properties of 3-methyl-4-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]butan-1-ol?
3-methyl-4-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]butan-1-ol has a molecular weight of 254.29 g/mol, XLogP of 1.46, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]butan-1-ol is sourced from PubChem (CID 80850424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).