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

C15H26N2O2 — CID 43733479

IUPAC5-(heptylamino)-1-(2-methoxyethyl)pyridin-2-one
SMILESCCCCCCCNc1ccc(=O)n(CCOC)c1
InChIInChI=1S/C15H26N2O2/c1-3-4-5-6-7-10-16-14-8-9-15(18)17(13-14)11-12-19-2/h8-9,13,16H,3-7,10-12H2,1-2H3
InChIKeyFEVMGTMTVJXGAX-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.88
Rot. Bonds10

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

5-(heptylamino)-1-(2-methoxyethyl)pyridin-2-one (PubChem CID 43733479) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 5-(heptylamino)-1-(2-methoxyethyl)pyridin-2-one.

Molecular Properties

Compound Name5-(heptylamino)-1-(2-methoxyethyl)pyridin-2-one
PubChem CID43733479
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name5-(heptylamino)-1-(2-methoxyethyl)pyridin-2-one
SMILESCCCCCCCNc1ccc(=O)n(CCOC)c1
InChIInChI=1S/C15H26N2O2/c1-3-4-5-6-7-10-16-14-8-9-15(18)17(13-14)11-12-19-2/h8-9,13,16H,3-7,10-12H2,1-2H3
InChIKeyFEVMGTMTVJXGAX-UHFFFAOYSA-N
XLogP2.88
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.88
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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Frequently Asked Questions

What is the IUPAC name of 5-(heptylamino)-1-(2-methoxyethyl)pyridin-2-one?
The IUPAC name of 5-(heptylamino)-1-(2-methoxyethyl)pyridin-2-one (CID 43733479) is 5-(heptylamino)-1-(2-methoxyethyl)pyridin-2-one.
What is the SMILES notation for 5-(heptylamino)-1-(2-methoxyethyl)pyridin-2-one?
The canonical SMILES for 5-(heptylamino)-1-(2-methoxyethyl)pyridin-2-one is CCCCCCCNc1ccc(=O)n(CCOC)c1.
What is the InChIKey of 5-(heptylamino)-1-(2-methoxyethyl)pyridin-2-one?
The InChIKey is FEVMGTMTVJXGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-3-4-5-6-7-10-16-14-8-9-15(18)17(13-14)11-12-19-2/h8-9,13,16H,3-7,10-12H2,1-2H3.
What are the key properties of 5-(heptylamino)-1-(2-methoxyethyl)pyridin-2-one?
5-(heptylamino)-1-(2-methoxyethyl)pyridin-2-one has a molecular weight of 266.38 g/mol, XLogP of 2.88, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(heptylamino)-1-(2-methoxyethyl)pyridin-2-one is sourced from PubChem (CID 43733479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).