1-(2-Methoxyethyl)-5-(pentylamino)pyridin-2-one

C13H22N2O2 — CID 43733388

IUPAC1-(2-methoxyethyl)-5-(pentylamino)pyridin-2-one
SMILESCCCCCNC1=CN(C(=O)C=C1)CCOC
InChIInChI=1S/C13H22N2O2/c1-3-4-5-8-14-12-6-7-13(16)15(11-12)9-10-17-2/h6-7,11,14H,3-5,8-10H2,1-2H3
InChIKeyQNCNMCGPADSROX-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.70
Rot. Bonds8

About 1-(2-Methoxyethyl)-5-(pentylamino)pyridin-2-one

1-(2-Methoxyethyl)-5-(pentylamino)pyridin-2-one (PubChem CID 43733388) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-(pentylamino)pyridin-2-one.

Molecular Properties

Compound Name1-(2-Methoxyethyl)-5-(pentylamino)pyridin-2-one
PubChem CID43733388
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-(2-methoxyethyl)-5-(pentylamino)pyridin-2-one
SMILESCCCCCNC1=CN(C(=O)C=C1)CCOC
InChIInChI=1S/C13H22N2O2/c1-3-4-5-8-14-12-6-7-13(16)15(11-12)9-10-17-2/h6-7,11,14H,3-5,8-10H2,1-2H3
InChIKeyQNCNMCGPADSROX-UHFFFAOYSA-N
XLogP1.70
TPSA41.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity298

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-Methoxyethyl)-5-(pentylamino)pyridin-2-one?
The IUPAC name of 1-(2-Methoxyethyl)-5-(pentylamino)pyridin-2-one (CID 43733388) is 1-(2-methoxyethyl)-5-(pentylamino)pyridin-2-one.
What is the SMILES notation for 1-(2-Methoxyethyl)-5-(pentylamino)pyridin-2-one?
The canonical SMILES for 1-(2-Methoxyethyl)-5-(pentylamino)pyridin-2-one is CCCCCNC1=CN(C(=O)C=C1)CCOC.
What is the InChIKey of 1-(2-Methoxyethyl)-5-(pentylamino)pyridin-2-one?
The InChIKey is QNCNMCGPADSROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-4-5-8-14-12-6-7-13(16)15(11-12)9-10-17-2/h6-7,11,14H,3-5,8-10H2,1-2H3.
What are the key properties of 1-(2-Methoxyethyl)-5-(pentylamino)pyridin-2-one?
1-(2-Methoxyethyl)-5-(pentylamino)pyridin-2-one has a molecular weight of 238.33 g/mol, XLogP of 1.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-Methoxyethyl)-5-(pentylamino)pyridin-2-one is sourced from PubChem (CID 43733388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).