4-[(dimethylamino)methyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one

C17H28N2O2 — CID 153352910

IUPAC4-[(dimethylamino)methyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one
SMILESCCCC(=O)C(CC(C)C)n1ccc(CN(C)C)cc1=O
InChIInChI=1S/C17H28N2O2/c1-6-7-16(20)15(10-13(2)3)19-9-8-14(11-17(19)21)12-18(4)5/h8-9,11,13,15H,6-7,10,12H2,1-5H3
InChIKeyKIUAMEFCLXVYOG-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.87
Rot. Bonds8

About 4-[(dimethylamino)methyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one

4-[(dimethylamino)methyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one (PubChem CID 153352910) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one
PubChem CID153352910
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name4-[(dimethylamino)methyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one
SMILESCCCC(=O)C(CC(C)C)n1ccc(CN(C)C)cc1=O
InChIInChI=1S/C17H28N2O2/c1-6-7-16(20)15(10-13(2)3)19-9-8-14(11-17(19)21)12-18(4)5/h8-9,11,13,15H,6-7,10,12H2,1-5H3
InChIKeyKIUAMEFCLXVYOG-UHFFFAOYSA-N
XLogP2.87
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one?
The IUPAC name of 4-[(dimethylamino)methyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one (CID 153352910) is 4-[(dimethylamino)methyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one.
What is the SMILES notation for 4-[(dimethylamino)methyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one?
The canonical SMILES for 4-[(dimethylamino)methyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one is CCCC(=O)C(CC(C)C)n1ccc(CN(C)C)cc1=O.
What is the InChIKey of 4-[(dimethylamino)methyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one?
The InChIKey is KIUAMEFCLXVYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-6-7-16(20)15(10-13(2)3)19-9-8-14(11-17(19)21)12-18(4)5/h8-9,11,13,15H,6-7,10,12H2,1-5H3.
What are the key properties of 4-[(dimethylamino)methyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one?
4-[(dimethylamino)methyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one has a molecular weight of 292.42 g/mol, XLogP of 2.87, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one is sourced from PubChem (CID 153352910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).