6-acetyl-1-[5-(dimethylamino)pentan-2-yl]-3,5-dimethylpyridin-2-one

C16H26N2O2 — CID 174150834

IUPAC6-acetyl-1-[5-(dimethylamino)pentan-2-yl]-3,5-dimethylpyridin-2-one
SMILESCC(=O)c1c(C)cc(C)c(=O)n1C(C)CCCN(C)C
InChIInChI=1S/C16H26N2O2/c1-11-10-12(2)16(20)18(15(11)14(4)19)13(3)8-7-9-17(5)6/h10,13H,7-9H2,1-6H3
InChIKeyZKZVYDWVLXPBOM-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.57
Rot. Bonds6

About 6-acetyl-1-[5-(dimethylamino)pentan-2-yl]-3,5-dimethylpyridin-2-one

6-acetyl-1-[5-(dimethylamino)pentan-2-yl]-3,5-dimethylpyridin-2-one (PubChem CID 174150834) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 6-acetyl-1-[5-(dimethylamino)pentan-2-yl]-3,5-dimethylpyridin-2-one.

Molecular Properties

Compound Name6-acetyl-1-[5-(dimethylamino)pentan-2-yl]-3,5-dimethylpyridin-2-one
PubChem CID174150834
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name6-acetyl-1-[5-(dimethylamino)pentan-2-yl]-3,5-dimethylpyridin-2-one
SMILESCC(=O)c1c(C)cc(C)c(=O)n1C(C)CCCN(C)C
InChIInChI=1S/C16H26N2O2/c1-11-10-12(2)16(20)18(15(11)14(4)19)13(3)8-7-9-17(5)6/h10,13H,7-9H2,1-6H3
InChIKeyZKZVYDWVLXPBOM-UHFFFAOYSA-N
XLogP2.57
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-1-[5-(dimethylamino)pentan-2-yl]-3,5-dimethylpyridin-2-one?
The IUPAC name of 6-acetyl-1-[5-(dimethylamino)pentan-2-yl]-3,5-dimethylpyridin-2-one (CID 174150834) is 6-acetyl-1-[5-(dimethylamino)pentan-2-yl]-3,5-dimethylpyridin-2-one.
What is the SMILES notation for 6-acetyl-1-[5-(dimethylamino)pentan-2-yl]-3,5-dimethylpyridin-2-one?
The canonical SMILES for 6-acetyl-1-[5-(dimethylamino)pentan-2-yl]-3,5-dimethylpyridin-2-one is CC(=O)c1c(C)cc(C)c(=O)n1C(C)CCCN(C)C.
What is the InChIKey of 6-acetyl-1-[5-(dimethylamino)pentan-2-yl]-3,5-dimethylpyridin-2-one?
The InChIKey is ZKZVYDWVLXPBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11-10-12(2)16(20)18(15(11)14(4)19)13(3)8-7-9-17(5)6/h10,13H,7-9H2,1-6H3.
What are the key properties of 6-acetyl-1-[5-(dimethylamino)pentan-2-yl]-3,5-dimethylpyridin-2-one?
6-acetyl-1-[5-(dimethylamino)pentan-2-yl]-3,5-dimethylpyridin-2-one has a molecular weight of 278.40 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-1-[5-(dimethylamino)pentan-2-yl]-3,5-dimethylpyridin-2-one is sourced from PubChem (CID 174150834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).