1-[4-[(2-amino-3-pyridinyl)methoxy]-2-hydroxy-3-propylphenyl]ethanone

C17H20N2O3 — CID 10990237

IUPAC1-[4-[(2-amino-3-pyridinyl)methoxy]-2-hydroxy-3-propylphenyl]ethanone
SMILESCCCc1c(OCc2cccnc2N)ccc(C(C)=O)c1O
InChIInChI=1S/C17H20N2O3/c1-3-5-14-15(8-7-13(11(2)20)16(14)21)22-10-12-6-4-9-19-17(12)18/h4,6-9,21H,3,5,10H2,1-2H3,(H2,18,19)
InChIKeyCEOLBTIIVMSWSZ-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.10
Rot. Bonds6

About 1-[4-[(2-amino-3-pyridinyl)methoxy]-2-hydroxy-3-propylphenyl]ethanone

1-[4-[(2-amino-3-pyridinyl)methoxy]-2-hydroxy-3-propylphenyl]ethanone (PubChem CID 10990237) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[4-[(2-amino-3-pyridinyl)methoxy]-2-hydroxy-3-propylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(2-amino-3-pyridinyl)methoxy]-2-hydroxy-3-propylphenyl]ethanone
PubChem CID10990237
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name1-[4-[(2-amino-3-pyridinyl)methoxy]-2-hydroxy-3-propylphenyl]ethanone
SMILESCCCc1c(OCc2cccnc2N)ccc(C(C)=O)c1O
InChIInChI=1S/C17H20N2O3/c1-3-5-14-15(8-7-13(11(2)20)16(14)21)22-10-12-6-4-9-19-17(12)18/h4,6-9,21H,3,5,10H2,1-2H3,(H2,18,19)
InChIKeyCEOLBTIIVMSWSZ-UHFFFAOYSA-N
XLogP3.10
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-amino-3-pyridinyl)methoxy]-2-hydroxy-3-propylphenyl]ethanone?
The IUPAC name of 1-[4-[(2-amino-3-pyridinyl)methoxy]-2-hydroxy-3-propylphenyl]ethanone (CID 10990237) is 1-[4-[(2-amino-3-pyridinyl)methoxy]-2-hydroxy-3-propylphenyl]ethanone.
What is the SMILES notation for 1-[4-[(2-amino-3-pyridinyl)methoxy]-2-hydroxy-3-propylphenyl]ethanone?
The canonical SMILES for 1-[4-[(2-amino-3-pyridinyl)methoxy]-2-hydroxy-3-propylphenyl]ethanone is CCCc1c(OCc2cccnc2N)ccc(C(C)=O)c1O.
What is the InChIKey of 1-[4-[(2-amino-3-pyridinyl)methoxy]-2-hydroxy-3-propylphenyl]ethanone?
The InChIKey is CEOLBTIIVMSWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-3-5-14-15(8-7-13(11(2)20)16(14)21)22-10-12-6-4-9-19-17(12)18/h4,6-9,21H,3,5,10H2,1-2H3,(H2,18,19).
What are the key properties of 1-[4-[(2-amino-3-pyridinyl)methoxy]-2-hydroxy-3-propylphenyl]ethanone?
1-[4-[(2-amino-3-pyridinyl)methoxy]-2-hydroxy-3-propylphenyl]ethanone has a molecular weight of 300.36 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-amino-3-pyridinyl)methoxy]-2-hydroxy-3-propylphenyl]ethanone is sourced from PubChem (CID 10990237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).