4-amino-1-pentylpyridin-2-one

C10H16N2O — CID 70184412

IUPAC4-amino-1-pentylpyridin-2-one
SMILESCCCCCn1ccc(N)cc1=O
InChIInChI=1S/C10H16N2O/c1-2-3-4-6-12-7-5-9(11)8-10(12)13/h5,7-8H,2-4,6,11H2,1H3
InChIKeyXQQPCBUUZIFQCA-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.62
Rot. Bonds4

About 4-amino-1-pentylpyridin-2-one

4-amino-1-pentylpyridin-2-one (PubChem CID 70184412) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-amino-1-pentylpyridin-2-one.

Molecular Properties

Compound Name4-amino-1-pentylpyridin-2-one
PubChem CID70184412
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-amino-1-pentylpyridin-2-one
SMILESCCCCCn1ccc(N)cc1=O
InChIInChI=1S/C10H16N2O/c1-2-3-4-6-12-7-5-9(11)8-10(12)13/h5,7-8H,2-4,6,11H2,1H3
InChIKeyXQQPCBUUZIFQCA-UHFFFAOYSA-N
XLogP1.62
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.62
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 4-amino-1-pentylpyridin-2-one?
The IUPAC name of 4-amino-1-pentylpyridin-2-one (CID 70184412) is 4-amino-1-pentylpyridin-2-one.
What is the SMILES notation for 4-amino-1-pentylpyridin-2-one?
The canonical SMILES for 4-amino-1-pentylpyridin-2-one is CCCCCn1ccc(N)cc1=O.
What is the InChIKey of 4-amino-1-pentylpyridin-2-one?
The InChIKey is XQQPCBUUZIFQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-2-3-4-6-12-7-5-9(11)8-10(12)13/h5,7-8H,2-4,6,11H2,1H3.
What are the key properties of 4-amino-1-pentylpyridin-2-one?
4-amino-1-pentylpyridin-2-one has a molecular weight of 180.25 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-pentylpyridin-2-one is sourced from PubChem (CID 70184412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).