2-[4-[[6-(methylamino)-2-pyridinyl]amino]anilino]ethanol

C14H18N4O — CID 69135632

IUPAC2-[4-[[6-(methylamino)-2-pyridinyl]amino]anilino]ethanol
SMILESCNc1cccc(Nc2ccc(NCCO)cc2)n1
InChIInChI=1S/C14H18N4O/c1-15-13-3-2-4-14(18-13)17-12-7-5-11(6-8-12)16-9-10-19/h2-8,16,19H,9-10H2,1H3,(H2,15,17,18)
InChIKeyAFKZCFFEJZWMDO-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.27
Rot. Bonds6

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

2-[4-[[6-(methylamino)-2-pyridinyl]amino]anilino]ethanol (PubChem CID 69135632) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[4-[[6-(methylamino)-2-pyridinyl]amino]anilino]ethanol.

Molecular Properties

Compound Name2-[4-[[6-(methylamino)-2-pyridinyl]amino]anilino]ethanol
PubChem CID69135632
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-[4-[[6-(methylamino)-2-pyridinyl]amino]anilino]ethanol
SMILESCNc1cccc(Nc2ccc(NCCO)cc2)n1
InChIInChI=1S/C14H18N4O/c1-15-13-3-2-4-14(18-13)17-12-7-5-11(6-8-12)16-9-10-19/h2-8,16,19H,9-10H2,1H3,(H2,15,17,18)
InChIKeyAFKZCFFEJZWMDO-UHFFFAOYSA-N
XLogP2.27
TPSA69.21 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[6-(methylamino)-2-pyridinyl]amino]anilino]ethanol?
The IUPAC name of 2-[4-[[6-(methylamino)-2-pyridinyl]amino]anilino]ethanol (CID 69135632) is 2-[4-[[6-(methylamino)-2-pyridinyl]amino]anilino]ethanol.
What is the SMILES notation for 2-[4-[[6-(methylamino)-2-pyridinyl]amino]anilino]ethanol?
The canonical SMILES for 2-[4-[[6-(methylamino)-2-pyridinyl]amino]anilino]ethanol is CNc1cccc(Nc2ccc(NCCO)cc2)n1.
What is the InChIKey of 2-[4-[[6-(methylamino)-2-pyridinyl]amino]anilino]ethanol?
The InChIKey is AFKZCFFEJZWMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-15-13-3-2-4-14(18-13)17-12-7-5-11(6-8-12)16-9-10-19/h2-8,16,19H,9-10H2,1H3,(H2,15,17,18).
What are the key properties of 2-[4-[[6-(methylamino)-2-pyridinyl]amino]anilino]ethanol?
2-[4-[[6-(methylamino)-2-pyridinyl]amino]anilino]ethanol has a molecular weight of 258.32 g/mol, XLogP of 2.27, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[6-(methylamino)-2-pyridinyl]amino]anilino]ethanol is sourced from PubChem (CID 69135632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).