(2R)-3-methyl-2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol

C11H17N3O3 — CID 11447797

IUPAC(2R)-3-methyl-2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol
SMILESCc1nc(N[C@@H](CO)C(C)C)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H17N3O3/c1-7(2)9(6-15)13-11-5-4-10(14(16)17)8(3)12-11/h4-5,7,9,15H,6H2,1-3H3,(H,12,13)/t9-/m0/s1
InChIKeyYEMWHIOJSIDJPW-VIFPVBQESA-N
MW239.27 g/mol
LogP1.73
Rot. Bonds5

About (2R)-3-methyl-2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol

(2R)-3-methyl-2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol (PubChem CID 11447797) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is (2R)-3-methyl-2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-3-methyl-2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol
PubChem CID11447797
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name(2R)-3-methyl-2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol
SMILESCc1nc(N[C@@H](CO)C(C)C)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H17N3O3/c1-7(2)9(6-15)13-11-5-4-10(14(16)17)8(3)12-11/h4-5,7,9,15H,6H2,1-3H3,(H,12,13)/t9-/m0/s1
InChIKeyYEMWHIOJSIDJPW-VIFPVBQESA-N
XLogP1.73
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 69321388
3-[(6-methyl-5-nitro-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol
CID 103764733
2-[(6-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 11424958
(2S)-2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-3-methylbutan-1-ol
CID 80848436
(2R)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]hexan-1-ol
CID 11161107
N-(1-ethoxypropan-2-yl)-6-methyl-5-nitropyridin-2-amine
CID 80712316
2-(4-methoxyphenyl)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethanol
CID 84588442
N-(4-methoxybutan-2-yl)-6-methyl-5-nitropyridin-2-amine
CID 80712210
N-(1-cyclopropylethyl)-6-methyl-5-nitropyridin-2-amine
CID 80718382
6-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-nitropyridine-2-carboxylic acid
CID 114404286
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 112703231
6-methyl-N-[1-(2-methylphenyl)ethyl]-5-nitropyridin-2-amine
CID 80718748

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol?
The IUPAC name of (2R)-3-methyl-2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol (CID 11447797) is (2R)-3-methyl-2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol.
What is the SMILES notation for (2R)-3-methyl-2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol?
The canonical SMILES for (2R)-3-methyl-2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol is Cc1nc(N[C@@H](CO)C(C)C)ccc1[N+](=O)[O-].
What is the InChIKey of (2R)-3-methyl-2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol?
The InChIKey is YEMWHIOJSIDJPW-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7(2)9(6-15)13-11-5-4-10(14(16)17)8(3)12-11/h4-5,7,9,15H,6H2,1-3H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (2R)-3-methyl-2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol?
(2R)-3-methyl-2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol has a molecular weight of 239.27 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol is sourced from PubChem (CID 11447797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).