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

C12H19N3O3 — CID 11161107

IUPAC(2R)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]hexan-1-ol
SMILESCCCC[C@H](CO)Nc1ccc([N+](=O)[O-])c(C)n1
InChIInChI=1S/C12H19N3O3/c1-3-4-5-10(8-16)14-12-7-6-11(15(17)18)9(2)13-12/h6-7,10,16H,3-5,8H2,1-2H3,(H,13,14)/t10-/m1/s1
InChIKeyACUDZRXVAOKCAG-SNVBAGLBSA-N
MW253.30 g/mol
LogP2.26
Rot. Bonds7

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

(2R)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]hexan-1-ol (PubChem CID 11161107) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is (2R)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]hexan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]hexan-1-ol
PubChem CID11161107
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name(2R)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]hexan-1-ol
SMILESCCCC[C@H](CO)Nc1ccc([N+](=O)[O-])c(C)n1
InChIInChI=1S/C12H19N3O3/c1-3-4-5-10(8-16)14-12-7-6-11(15(17)18)9(2)13-12/h6-7,10,16H,3-5,8H2,1-2H3,(H,13,14)/t10-/m1/s1
InChIKeyACUDZRXVAOKCAG-SNVBAGLBSA-N
XLogP2.26
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.26
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'}

Analyze (2R)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]hexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(6-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 11424958
2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 69321388
(2R)-3-methyl-2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 11447797
2-(4-methoxyphenyl)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethanol
CID 84588442
N-hex-1-yn-3-yl-6-methyl-5-nitropyridin-2-amine
CID 106231548
2-[(6-amino-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 79827629
3-[(6-methyl-5-nitro-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol
CID 103764733
N-(4-methoxybutan-2-yl)-6-methyl-5-nitropyridin-2-amine
CID 80712210
N-(1-ethoxypropan-2-yl)-6-methyl-5-nitropyridin-2-amine
CID 80712316
1-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-2-ol
CID 11436054
N-(1-cyclopropylethyl)-6-methyl-5-nitropyridin-2-amine
CID 80718382
6-N-heptan-2-yl-3-nitropyridine-2,6-diamine
CID 79825693

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]hexan-1-ol?
The IUPAC name of (2R)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]hexan-1-ol (CID 11161107) is (2R)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]hexan-1-ol.
What is the SMILES notation for (2R)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]hexan-1-ol?
The canonical SMILES for (2R)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]hexan-1-ol is CCCC[C@H](CO)Nc1ccc([N+](=O)[O-])c(C)n1.
What is the InChIKey of (2R)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]hexan-1-ol?
The InChIKey is ACUDZRXVAOKCAG-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-4-5-10(8-16)14-12-7-6-11(15(17)18)9(2)13-12/h6-7,10,16H,3-5,8H2,1-2H3,(H,13,14)/t10-/m1/s1.
What are the key properties of (2R)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]hexan-1-ol?
(2R)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]hexan-1-ol has a molecular weight of 253.30 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]hexan-1-ol is sourced from PubChem (CID 11161107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).