2-[cyclobutyl-(3-methyl-5-nitro-2-pyridinyl)amino]ethanol

C12H17N3O3 — CID 102869000

IUPAC2-[cyclobutyl-(3-methyl-5-nitro-2-pyridinyl)amino]ethanol
SMILESCc1cc([N+](=O)[O-])cnc1N(CCO)C1CCC1
InChIInChI=1S/C12H17N3O3/c1-9-7-11(15(17)18)8-13-12(9)14(5-6-16)10-3-2-4-10/h7-8,10,16H,2-6H2,1H3
InChIKeyWLYSOPGCLOWYSV-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.65
Rot. Bonds5

About 2-[cyclobutyl-(3-methyl-5-nitro-2-pyridinyl)amino]ethanol

2-[cyclobutyl-(3-methyl-5-nitro-2-pyridinyl)amino]ethanol (PubChem CID 102869000) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[cyclobutyl-(3-methyl-5-nitro-2-pyridinyl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl-(3-methyl-5-nitro-2-pyridinyl)amino]ethanol
PubChem CID102869000
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[cyclobutyl-(3-methyl-5-nitro-2-pyridinyl)amino]ethanol
SMILESCc1cc([N+](=O)[O-])cnc1N(CCO)C1CCC1
InChIInChI=1S/C12H17N3O3/c1-9-7-11(15(17)18)8-13-12(9)14(5-6-16)10-3-2-4-10/h7-8,10,16H,2-6H2,1H3
InChIKeyWLYSOPGCLOWYSV-UHFFFAOYSA-N
XLogP1.65
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.65
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'}

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Related Compounds

2-[cyclobutyl-(5-nitropyrimidin-2-yl)amino]ethanol
CID 102675262
2-[(3-methyl-5-nitro-2-pyridinyl)-pentan-3-ylamino]ethanol
CID 62476555
N-ethyl-3-methyl-5-nitro-N-pyrrolidin-3-ylpyridin-2-amine
CID 63300013
2-(N-cyclobutyl-3-methyl-4-nitroanilino)ethanol
CID 102675216
2-[cyclopentyl-[3-methyl-5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]ethanol
CID 80632565
2-[cyclopentyl-(3-nitro-2-pyridinyl)amino]ethanol
CID 54998817
2-[(6-chloro-4-nitro-2-pyridinyl)-cyclobutylamino]ethanol
CID 102675312
2-(N-cyclobutyl-3-ethoxy-5-nitroanilino)ethanol
CID 102869080
N'-methyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 62688298
methyl 2-[methyl-(3-methyl-5-nitro-2-pyridinyl)amino]acetate
CID 62477602
2-[N-cyclobutyl-2-(hydroxymethyl)-4-nitroanilino]ethanol
CID 102864279
4-N-(3-bromo-5-nitro-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine
CID 79531137

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-(3-methyl-5-nitro-2-pyridinyl)amino]ethanol?
The IUPAC name of 2-[cyclobutyl-(3-methyl-5-nitro-2-pyridinyl)amino]ethanol (CID 102869000) is 2-[cyclobutyl-(3-methyl-5-nitro-2-pyridinyl)amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl-(3-methyl-5-nitro-2-pyridinyl)amino]ethanol?
The canonical SMILES for 2-[cyclobutyl-(3-methyl-5-nitro-2-pyridinyl)amino]ethanol is Cc1cc([N+](=O)[O-])cnc1N(CCO)C1CCC1.
What is the InChIKey of 2-[cyclobutyl-(3-methyl-5-nitro-2-pyridinyl)amino]ethanol?
The InChIKey is WLYSOPGCLOWYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-9-7-11(15(17)18)8-13-12(9)14(5-6-16)10-3-2-4-10/h7-8,10,16H,2-6H2,1H3.
What are the key properties of 2-[cyclobutyl-(3-methyl-5-nitro-2-pyridinyl)amino]ethanol?
2-[cyclobutyl-(3-methyl-5-nitro-2-pyridinyl)amino]ethanol has a molecular weight of 251.29 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-(3-methyl-5-nitro-2-pyridinyl)amino]ethanol is sourced from PubChem (CID 102869000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).