2-[[6-(4-methoxyanilino)-2-pyridinyl]amino]ethanol

C14H17N3O2 — CID 53259296

IUPAC2-[[6-(4-methoxyanilino)-2-pyridinyl]amino]ethanol
SMILESCOc1ccc(Nc2cccc(NCCO)n2)cc1
InChIInChI=1S/C14H17N3O2/c1-19-12-7-5-11(6-8-12)16-14-4-2-3-13(17-14)15-9-10-18/h2-8,18H,9-10H2,1H3,(H2,15,16,17)
InChIKeyRXAVFGDRWOFIDL-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.24
Rot. Bonds6

About 2-[[6-(4-methoxyanilino)-2-pyridinyl]amino]ethanol

2-[[6-(4-methoxyanilino)-2-pyridinyl]amino]ethanol (PubChem CID 53259296) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[[6-(4-methoxyanilino)-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-(4-methoxyanilino)-2-pyridinyl]amino]ethanol
PubChem CID53259296
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[[6-(4-methoxyanilino)-2-pyridinyl]amino]ethanol
SMILESCOc1ccc(Nc2cccc(NCCO)n2)cc1
InChIInChI=1S/C14H17N3O2/c1-19-12-7-5-11(6-8-12)16-14-4-2-3-13(17-14)15-9-10-18/h2-8,18H,9-10H2,1H3,(H2,15,16,17)
InChIKeyRXAVFGDRWOFIDL-UHFFFAOYSA-N
XLogP2.24
TPSA66.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-methoxyanilino)-2-pyridinyl]amino]ethanol?
The IUPAC name of 2-[[6-(4-methoxyanilino)-2-pyridinyl]amino]ethanol (CID 53259296) is 2-[[6-(4-methoxyanilino)-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[[6-(4-methoxyanilino)-2-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[[6-(4-methoxyanilino)-2-pyridinyl]amino]ethanol is COc1ccc(Nc2cccc(NCCO)n2)cc1.
What is the InChIKey of 2-[[6-(4-methoxyanilino)-2-pyridinyl]amino]ethanol?
The InChIKey is RXAVFGDRWOFIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-19-12-7-5-11(6-8-12)16-14-4-2-3-13(17-14)15-9-10-18/h2-8,18H,9-10H2,1H3,(H2,15,16,17).
What are the key properties of 2-[[6-(4-methoxyanilino)-2-pyridinyl]amino]ethanol?
2-[[6-(4-methoxyanilino)-2-pyridinyl]amino]ethanol has a molecular weight of 259.31 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-methoxyanilino)-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 53259296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).