2-[(3-methyl-5-nitro-2-pyridinyl)-pentan-3-ylamino]ethanol

C13H21N3O3 — CID 62476555

IUPAC2-[(3-methyl-5-nitro-2-pyridinyl)-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)c1ncc([N+](=O)[O-])cc1C
InChIInChI=1S/C13H21N3O3/c1-4-11(5-2)15(6-7-17)13-10(3)8-12(9-14-13)16(18)19/h8-9,11,17H,4-7H2,1-3H3
InChIKeyVYGBKNKJTAETAO-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.29
Rot. Bonds7

About 2-[(3-methyl-5-nitro-2-pyridinyl)-pentan-3-ylamino]ethanol

2-[(3-methyl-5-nitro-2-pyridinyl)-pentan-3-ylamino]ethanol (PubChem CID 62476555) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[(3-methyl-5-nitro-2-pyridinyl)-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[(3-methyl-5-nitro-2-pyridinyl)-pentan-3-ylamino]ethanol
PubChem CID62476555
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-[(3-methyl-5-nitro-2-pyridinyl)-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)c1ncc([N+](=O)[O-])cc1C
InChIInChI=1S/C13H21N3O3/c1-4-11(5-2)15(6-7-17)13-10(3)8-12(9-14-13)16(18)19/h8-9,11,17H,4-7H2,1-3H3
InChIKeyVYGBKNKJTAETAO-UHFFFAOYSA-N
XLogP2.29
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
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 2-[(3-methyl-5-nitro-2-pyridinyl)-pentan-3-ylamino]ethanol 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-[cyclobutyl-(3-methyl-5-nitro-2-pyridinyl)amino]ethanol
CID 102869000
N'-methyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 62688298
2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 80905174
2-[ethyl(2-hydroxyethyl)amino]-5-nitropyridine-3-carbonitrile
CID 60678518
tert-butyl-(3-methyl-5-nitro-2-pyridinyl)carbamic acid
CID 66927025
2-[(3-bromo-5-nitro-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol
CID 107484213
2-(3-methyl-5-nitro-2-pyridinyl)butanoic acid
CID 104572156
methyl 2-[methyl-(3-methyl-5-nitro-2-pyridinyl)amino]acetate
CID 62477602
5-fluoro-2-[2-hydroxyethyl(pentan-3-yl)amino]pyridine-3-carboxylic acid
CID 114034416
2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80811446
N'-ethyl-2,2-dimethyl-N'-(3-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine
CID 79662020
2-(2-methyl-3-nitro-N-pentan-3-ylanilino)ethanol
CID 63077643

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-5-nitro-2-pyridinyl)-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[(3-methyl-5-nitro-2-pyridinyl)-pentan-3-ylamino]ethanol (CID 62476555) is 2-[(3-methyl-5-nitro-2-pyridinyl)-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[(3-methyl-5-nitro-2-pyridinyl)-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[(3-methyl-5-nitro-2-pyridinyl)-pentan-3-ylamino]ethanol is CCC(CC)N(CCO)c1ncc([N+](=O)[O-])cc1C.
What is the InChIKey of 2-[(3-methyl-5-nitro-2-pyridinyl)-pentan-3-ylamino]ethanol?
The InChIKey is VYGBKNKJTAETAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-4-11(5-2)15(6-7-17)13-10(3)8-12(9-14-13)16(18)19/h8-9,11,17H,4-7H2,1-3H3.
What are the key properties of 2-[(3-methyl-5-nitro-2-pyridinyl)-pentan-3-ylamino]ethanol?
2-[(3-methyl-5-nitro-2-pyridinyl)-pentan-3-ylamino]ethanol has a molecular weight of 267.33 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-5-nitro-2-pyridinyl)-pentan-3-ylamino]ethanol is sourced from PubChem (CID 62476555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).