1-[3-(2-methoxyethylamino)propyl]pyridin-4-one

C11H18N2O2 — CID 62881035

IUPAC1-[3-(2-methoxyethylamino)propyl]pyridin-4-one
SMILESCOCCNCCCn1ccc(=O)cc1
InChIInChI=1S/C11H18N2O2/c1-15-10-6-12-5-2-7-13-8-3-11(14)4-9-13/h3-4,8-9,12H,2,5-7,10H2,1H3
InChIKeyFNPGVUGXKQVDMM-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.47
Rot. Bonds7

About 1-[3-(2-methoxyethylamino)propyl]pyridin-4-one

1-[3-(2-methoxyethylamino)propyl]pyridin-4-one (PubChem CID 62881035) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-[3-(2-methoxyethylamino)propyl]pyridin-4-one.

Molecular Properties

Compound Name1-[3-(2-methoxyethylamino)propyl]pyridin-4-one
PubChem CID62881035
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-[3-(2-methoxyethylamino)propyl]pyridin-4-one
SMILESCOCCNCCCn1ccc(=O)cc1
InChIInChI=1S/C11H18N2O2/c1-15-10-6-12-5-2-7-13-8-3-11(14)4-9-13/h3-4,8-9,12H,2,5-7,10H2,1H3
InChIKeyFNPGVUGXKQVDMM-UHFFFAOYSA-N
XLogP0.47
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

morpholine;1H-pyridin-4-one
CID 156365813
3-[2-methoxyethyl(methyl)amino]-2-methyl-1H-pyridin-4-one
CID 179073804
1-[2-(2-Butoxyethylamino)ethyl]pyridin-4-one
CID 55127759
1-[2-Hydroxy-3-(methylamino)propyl]pyridin-4-one
CID 62879651
1-[3-(Ethylamino)-2-hydroxypropyl]pyridin-4-one
CID 62879822
1-[2-Hydroxy-3-(propan-2-ylamino)propyl]pyridin-4-one
CID 62879823
1-[2-Hydroxy-3-(propylamino)propyl]pyridin-4-one
CID 62879824
1-[3-(Propylamino)propyl]pyridin-4-one
CID 62880508
1-[3-(Ethylamino)propyl]pyridin-4-one
CID 62880509
1-[2-(3-Ethoxypropylamino)ethyl]pyridin-4-one
CID 62880862
1-[2-(3-Propan-2-yloxypropylamino)ethyl]pyridin-4-one
CID 62880867
1-[2-(3-Methoxypropylamino)ethyl]pyridin-4-one
CID 62880879

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethylamino)propyl]pyridin-4-one?
The IUPAC name of 1-[3-(2-methoxyethylamino)propyl]pyridin-4-one (CID 62881035) is 1-[3-(2-methoxyethylamino)propyl]pyridin-4-one.
What is the SMILES notation for 1-[3-(2-methoxyethylamino)propyl]pyridin-4-one?
The canonical SMILES for 1-[3-(2-methoxyethylamino)propyl]pyridin-4-one is COCCNCCCn1ccc(=O)cc1.
What is the InChIKey of 1-[3-(2-methoxyethylamino)propyl]pyridin-4-one?
The InChIKey is FNPGVUGXKQVDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-15-10-6-12-5-2-7-13-8-3-11(14)4-9-13/h3-4,8-9,12H,2,5-7,10H2,1H3.
What are the key properties of 1-[3-(2-methoxyethylamino)propyl]pyridin-4-one?
1-[3-(2-methoxyethylamino)propyl]pyridin-4-one has a molecular weight of 210.28 g/mol, XLogP of 0.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethylamino)propyl]pyridin-4-one is sourced from PubChem (CID 62881035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).