5-(Hexylamino)-1-(2-methoxyethyl)pyridin-2-one

C14H24N2O2 — CID 43733410

IUPAC5-(hexylamino)-1-(2-methoxyethyl)pyridin-2-one
SMILESCCCCCCNC1=CN(C(=O)C=C1)CCOC
InChIInChI=1S/C14H24N2O2/c1-3-4-5-6-9-15-13-7-8-14(17)16(12-13)10-11-18-2/h7-8,12,15H,3-6,9-11H2,1-2H3
InChIKeyHVNBZWDIDQZOML-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.30
Rot. Bonds9

About 5-(Hexylamino)-1-(2-methoxyethyl)pyridin-2-one

5-(Hexylamino)-1-(2-methoxyethyl)pyridin-2-one (PubChem CID 43733410) has the molecular formula C14H24N2O2 and a molecular weight of 252.35 g/mol. Its IUPAC name is 5-(hexylamino)-1-(2-methoxyethyl)pyridin-2-one.

Molecular Properties

Compound Name5-(Hexylamino)-1-(2-methoxyethyl)pyridin-2-one
PubChem CID43733410
Molecular FormulaC14H24N2O2
Molecular Weight252.35 g/mol
Exact Mass252.18
IUPAC Name5-(hexylamino)-1-(2-methoxyethyl)pyridin-2-one
SMILESCCCCCCNC1=CN(C(=O)C=C1)CCOC
InChIInChI=1S/C14H24N2O2/c1-3-4-5-6-9-15-13-7-8-14(17)16(12-13)10-11-18-2/h7-8,12,15H,3-6,9-11H2,1-2H3
InChIKeyHVNBZWDIDQZOML-UHFFFAOYSA-N
XLogP2.30
TPSA41.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity311

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.30
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 5-(Hexylamino)-1-(2-methoxyethyl)pyridin-2-one?
The IUPAC name of 5-(Hexylamino)-1-(2-methoxyethyl)pyridin-2-one (CID 43733410) is 5-(hexylamino)-1-(2-methoxyethyl)pyridin-2-one.
What is the SMILES notation for 5-(Hexylamino)-1-(2-methoxyethyl)pyridin-2-one?
The canonical SMILES for 5-(Hexylamino)-1-(2-methoxyethyl)pyridin-2-one is CCCCCCNC1=CN(C(=O)C=C1)CCOC.
What is the InChIKey of 5-(Hexylamino)-1-(2-methoxyethyl)pyridin-2-one?
The InChIKey is HVNBZWDIDQZOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-4-5-6-9-15-13-7-8-14(17)16(12-13)10-11-18-2/h7-8,12,15H,3-6,9-11H2,1-2H3.
What are the key properties of 5-(Hexylamino)-1-(2-methoxyethyl)pyridin-2-one?
5-(Hexylamino)-1-(2-methoxyethyl)pyridin-2-one has a molecular weight of 252.35 g/mol, XLogP of 2.30, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(Hexylamino)-1-(2-methoxyethyl)pyridin-2-one is sourced from PubChem (CID 43733410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).