2-[cyclohexyl-(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol

C14H21N3O4 — CID 58903886

IUPAC2-[cyclohexyl-(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol
SMILESCOc1ccc([N+](=O)[O-])c(N(CCO)C2CCCCC2)n1
InChIInChI=1S/C14H21N3O4/c1-21-13-8-7-12(17(19)20)14(15-13)16(9-10-18)11-5-3-2-4-6-11/h7-8,11,18H,2-6,9-10H2,1H3
InChIKeyFAZCTYCVEKLZJW-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.13
Rot. Bonds6

About 2-[cyclohexyl-(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol

2-[cyclohexyl-(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol (PubChem CID 58903886) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[cyclohexyl-(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclohexyl-(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol
PubChem CID58903886
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-[cyclohexyl-(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol
SMILESCOc1ccc([N+](=O)[O-])c(N(CCO)C2CCCCC2)n1
InChIInChI=1S/C14H21N3O4/c1-21-13-8-7-12(17(19)20)14(15-13)16(9-10-18)11-5-3-2-4-6-11/h7-8,11,18H,2-6,9-10H2,1H3
InChIKeyFAZCTYCVEKLZJW-UHFFFAOYSA-N
XLogP2.13
TPSA88.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol?
The IUPAC name of 2-[cyclohexyl-(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol (CID 58903886) is 2-[cyclohexyl-(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol.
What is the SMILES notation for 2-[cyclohexyl-(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol?
The canonical SMILES for 2-[cyclohexyl-(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol is COc1ccc([N+](=O)[O-])c(N(CCO)C2CCCCC2)n1.
What is the InChIKey of 2-[cyclohexyl-(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol?
The InChIKey is FAZCTYCVEKLZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-21-13-8-7-12(17(19)20)14(15-13)16(9-10-18)11-5-3-2-4-6-11/h7-8,11,18H,2-6,9-10H2,1H3.
What are the key properties of 2-[cyclohexyl-(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol?
2-[cyclohexyl-(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol has a molecular weight of 295.34 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol is sourced from PubChem (CID 58903886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).