2-(4-methoxyphenyl)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethanol

C15H17N3O4 — CID 84588442

IUPAC2-(4-methoxyphenyl)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethanol
SMILESCOc1ccc(C(CO)Nc2ccc([N+](=O)[O-])c(C)n2)cc1
InChIInChI=1S/C15H17N3O4/c1-10-14(18(20)21)7-8-15(16-10)17-13(9-19)11-3-5-12(22-2)6-4-11/h3-8,13,19H,9H2,1-2H3,(H,16,17)
InChIKeyWRBOPQMLWQBGPW-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.45
Rot. Bonds6

About 2-(4-methoxyphenyl)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethanol

2-(4-methoxyphenyl)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethanol (PubChem CID 84588442) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethanol.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethanol
PubChem CID84588442
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name2-(4-methoxyphenyl)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethanol
SMILESCOc1ccc(C(CO)Nc2ccc([N+](=O)[O-])c(C)n2)cc1
InChIInChI=1S/C15H17N3O4/c1-10-14(18(20)21)7-8-15(16-10)17-13(9-19)11-3-5-12(22-2)6-4-11/h3-8,13,19H,9H2,1-2H3,(H,16,17)
InChIKeyWRBOPQMLWQBGPW-UHFFFAOYSA-N
XLogP2.45
TPSA97.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.45
H-Bond Donors ≤ 52
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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Related Compounds

(2R)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]hexan-1-ol
CID 11161107
(2R)-3-methyl-2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 11447797
2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 69321388
N-[(4-methoxyphenyl)methyl]-6-methyl-5-nitropyridin-2-amine
CID 80718457
2-[(6-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 11424958
N-(4-methoxybutan-2-yl)-6-methyl-5-nitropyridin-2-amine
CID 80712210
N-[1-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine
CID 51194316
3-[(6-methyl-5-nitro-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol
CID 103764733
2-(4-fluorophenyl)-2-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]ethanol
CID 69150495
N-[(1R)-1-(1-ethylpyrazol-4-yl)propyl]-6-methyl-5-nitropyridin-2-amine
CID 97226193
2-methoxy-N-(6-methyl-5-nitro-2-pyridinyl)acetamide
CID 67266270
N-(1-ethoxypropan-2-yl)-6-methyl-5-nitropyridin-2-amine
CID 80712316

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethanol?
The IUPAC name of 2-(4-methoxyphenyl)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethanol (CID 84588442) is 2-(4-methoxyphenyl)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethanol.
What is the SMILES notation for 2-(4-methoxyphenyl)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethanol?
The canonical SMILES for 2-(4-methoxyphenyl)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethanol is COc1ccc(C(CO)Nc2ccc([N+](=O)[O-])c(C)n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethanol?
The InChIKey is WRBOPQMLWQBGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-10-14(18(20)21)7-8-15(16-10)17-13(9-19)11-3-5-12(22-2)6-4-11/h3-8,13,19H,9H2,1-2H3,(H,16,17).
What are the key properties of 2-(4-methoxyphenyl)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethanol?
2-(4-methoxyphenyl)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethanol has a molecular weight of 303.32 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethanol is sourced from PubChem (CID 84588442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).