1-methoxy-3-[methyl-[6-(methylamino)-3-nitro-2-pyridinyl]amino]propan-2-ol

C11H18N4O4 — CID 80810495

IUPAC1-methoxy-3-[methyl-[6-(methylamino)-3-nitro-2-pyridinyl]amino]propan-2-ol
SMILESCNc1ccc([N+](=O)[O-])c(N(C)CC(O)COC)n1
InChIInChI=1S/C11H18N4O4/c1-12-10-5-4-9(15(17)18)11(13-10)14(2)6-8(16)7-19-3/h4-5,8,16H,6-7H2,1-3H3,(H,12,13)
InChIKeyMPFVTPGWFBSXTG-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.47
Rot. Bonds7

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

1-methoxy-3-[methyl-[6-(methylamino)-3-nitro-2-pyridinyl]amino]propan-2-ol (PubChem CID 80810495) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-methoxy-3-[methyl-[6-(methylamino)-3-nitro-2-pyridinyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[methyl-[6-(methylamino)-3-nitro-2-pyridinyl]amino]propan-2-ol
PubChem CID80810495
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name1-methoxy-3-[methyl-[6-(methylamino)-3-nitro-2-pyridinyl]amino]propan-2-ol
SMILESCNc1ccc([N+](=O)[O-])c(N(C)CC(O)COC)n1
InChIInChI=1S/C11H18N4O4/c1-12-10-5-4-9(15(17)18)11(13-10)14(2)6-8(16)7-19-3/h4-5,8,16H,6-7H2,1-3H3,(H,12,13)
InChIKeyMPFVTPGWFBSXTG-UHFFFAOYSA-N
XLogP0.47
TPSA100.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.47
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

1-methoxy-3-[methyl-(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol
CID 80718215
3-[(6-methoxy-3-nitro-2-pyridinyl)-methylamino]propane-1,2-diol
CID 69333966
3-[methyl-[6-(methylamino)-3-nitro-2-pyridinyl]amino]propanenitrile
CID 80753426
2-N-(4-methoxyphenyl)-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine
CID 71523739
2-N-[(4-bromophenyl)methyl]-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine
CID 80777619
1-methoxy-3-[(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol
CID 80712438
1-[(6-chloro-3-nitro-2-pyridinyl)-methylamino]propan-2-ol
CID 62337373
2-N-cyclopentyl-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine
CID 80774638
2-N-(2-ethoxyethyl)-2-N-ethyl-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80834593
1-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methoxypropan-2-ol
CID 79815785
2-N,6-N-dimethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-nitropyridine-2,6-diamine
CID 80812701
N-methyl-2-[[6-(methylamino)-3-nitro-2-pyridinyl]-propylamino]acetamide
CID 80806509

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[methyl-[6-(methylamino)-3-nitro-2-pyridinyl]amino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[methyl-[6-(methylamino)-3-nitro-2-pyridinyl]amino]propan-2-ol (CID 80810495) is 1-methoxy-3-[methyl-[6-(methylamino)-3-nitro-2-pyridinyl]amino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[methyl-[6-(methylamino)-3-nitro-2-pyridinyl]amino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[methyl-[6-(methylamino)-3-nitro-2-pyridinyl]amino]propan-2-ol is CNc1ccc([N+](=O)[O-])c(N(C)CC(O)COC)n1.
What is the InChIKey of 1-methoxy-3-[methyl-[6-(methylamino)-3-nitro-2-pyridinyl]amino]propan-2-ol?
The InChIKey is MPFVTPGWFBSXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-12-10-5-4-9(15(17)18)11(13-10)14(2)6-8(16)7-19-3/h4-5,8,16H,6-7H2,1-3H3,(H,12,13).
What are the key properties of 1-methoxy-3-[methyl-[6-(methylamino)-3-nitro-2-pyridinyl]amino]propan-2-ol?
1-methoxy-3-[methyl-[6-(methylamino)-3-nitro-2-pyridinyl]amino]propan-2-ol has a molecular weight of 270.29 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[methyl-[6-(methylamino)-3-nitro-2-pyridinyl]amino]propan-2-ol is sourced from PubChem (CID 80810495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).