6-methyl-1-[4-(propylamino)butyl]pyridin-2-one

C13H22N2O — CID 62566200

IUPAC6-methyl-1-[4-(propylamino)butyl]pyridin-2-one
SMILESCCCNCCCCn1c(C)cccc1=O
InChIInChI=1S/C13H22N2O/c1-3-9-14-10-4-5-11-15-12(2)7-6-8-13(15)16/h6-8,14H,3-5,9-11H2,1-2H3
InChIKeyRNVHDYMOATXRSN-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.94
Rot. Bonds7

About 6-methyl-1-[4-(propylamino)butyl]pyridin-2-one

6-methyl-1-[4-(propylamino)butyl]pyridin-2-one (PubChem CID 62566200) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 6-methyl-1-[4-(propylamino)butyl]pyridin-2-one.

Molecular Properties

Compound Name6-methyl-1-[4-(propylamino)butyl]pyridin-2-one
PubChem CID62566200
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name6-methyl-1-[4-(propylamino)butyl]pyridin-2-one
SMILESCCCNCCCCn1c(C)cccc1=O
InChIInChI=1S/C13H22N2O/c1-3-9-14-10-4-5-11-15-12(2)7-6-8-13(15)16/h6-8,14H,3-5,9-11H2,1-2H3
InChIKeyRNVHDYMOATXRSN-UHFFFAOYSA-N
XLogP1.94
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.94
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 6-methyl-1-[4-(propylamino)butyl]pyridin-2-one?
The IUPAC name of 6-methyl-1-[4-(propylamino)butyl]pyridin-2-one (CID 62566200) is 6-methyl-1-[4-(propylamino)butyl]pyridin-2-one.
What is the SMILES notation for 6-methyl-1-[4-(propylamino)butyl]pyridin-2-one?
The canonical SMILES for 6-methyl-1-[4-(propylamino)butyl]pyridin-2-one is CCCNCCCCn1c(C)cccc1=O.
What is the InChIKey of 6-methyl-1-[4-(propylamino)butyl]pyridin-2-one?
The InChIKey is RNVHDYMOATXRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-9-14-10-4-5-11-15-12(2)7-6-8-13(15)16/h6-8,14H,3-5,9-11H2,1-2H3.
What are the key properties of 6-methyl-1-[4-(propylamino)butyl]pyridin-2-one?
6-methyl-1-[4-(propylamino)butyl]pyridin-2-one has a molecular weight of 222.33 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[4-(propylamino)butyl]pyridin-2-one is sourced from PubChem (CID 62566200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).