1-[2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]ethyl]pyridin-2-one

C16H19N3O2 — CID 82898570

IUPAC1-[2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCOc1ccc(CNC2CC2)nc1
InChIInChI=1S/C16H19N3O2/c20-16-3-1-2-8-19(16)9-10-21-15-7-6-14(18-12-15)11-17-13-4-5-13/h1-3,6-8,12-13,17H,4-5,9-11H2
InChIKeyQCHLWABZTSJEIZ-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.57
Rot. Bonds7

About 1-[2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]ethyl]pyridin-2-one

1-[2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]ethyl]pyridin-2-one (PubChem CID 82898570) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]ethyl]pyridin-2-one
PubChem CID82898570
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-[2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCOc1ccc(CNC2CC2)nc1
InChIInChI=1S/C16H19N3O2/c20-16-3-1-2-8-19(16)9-10-21-15-7-6-14(18-12-15)11-17-13-4-5-13/h1-3,6-8,12-13,17H,4-5,9-11H2
InChIKeyQCHLWABZTSJEIZ-UHFFFAOYSA-N
XLogP1.57
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]ethyl]pyridin-2-one (CID 82898570) is 1-[2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]ethyl]pyridin-2-one is O=c1ccccn1CCOc1ccc(CNC2CC2)nc1.
What is the InChIKey of 1-[2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]ethyl]pyridin-2-one?
The InChIKey is QCHLWABZTSJEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-16-3-1-2-8-19(16)9-10-21-15-7-6-14(18-12-15)11-17-13-4-5-13/h1-3,6-8,12-13,17H,4-5,9-11H2.
What are the key properties of 1-[2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]ethyl]pyridin-2-one?
1-[2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]ethyl]pyridin-2-one has a molecular weight of 285.35 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]ethyl]pyridin-2-one is sourced from PubChem (CID 82898570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).