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

C17H28N2O2 — CID 146183379

IUPAC5-[(dimethylamino)methyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one
SMILESCCCC(=O)C(CC(C)C)n1cc(CN(C)C)ccc1=O
InChIInChI=1S/C17H28N2O2/c1-6-7-16(20)15(10-13(2)3)19-12-14(11-18(4)5)8-9-17(19)21/h8-9,12-13,15H,6-7,10-11H2,1-5H3
InChIKeyWGDDMPOJKMHOQS-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.87
Rot. Bonds8

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

5-[(dimethylamino)methyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one (PubChem CID 146183379) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one
PubChem CID146183379
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name5-[(dimethylamino)methyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one
SMILESCCCC(=O)C(CC(C)C)n1cc(CN(C)C)ccc1=O
InChIInChI=1S/C17H28N2O2/c1-6-7-16(20)15(10-13(2)3)19-12-14(11-18(4)5)8-9-17(19)21/h8-9,12-13,15H,6-7,10-11H2,1-5H3
InChIKeyWGDDMPOJKMHOQS-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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Related Compounds

5-[2-(Dimethylamino)ethyl]-1-(5-methyl-2-oxohexan-3-yl)-4-(trifluoromethyl)pyridin-2-one
CID 156728377
3-(1-Fluoroethyl)-1-(5-methyl-2-oxocyclohexyl)pyridin-2-one
CID 156728469
5-[3-(Dimethylamino)propyl]-1-(5-methyl-2-oxohexan-3-yl)-4-(trifluoromethyl)pyridin-2-one
CID 156728616
(2R)-4-acetyl-1-[(E)-dec-2-enoyl]-2-(2-methylpropyl)-2H-pyrrol-3-one
CID 9884080
4-acetyl-1-[(E)-dec-2-enoyl]-2-(2-methylpropyl)-2H-pyrrol-3-one
CID 17936449
3-[2-(1-Methylpiperidin-4-yl)ethyl]-1-(2-oxopropyl)pyridin-2-one
CID 22973372
4-acetyl-1-dec-2-enoyl-2-(2-methylpropyl)-2H-pyrrol-3-one
CID 70185795
5-[2-(Dimethylamino)ethyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one
CID 146183460
5-[(Dimethylamino)methyl]-1-(2-methyl-5-oxodecan-4-yl)pyridin-2-one
CID 146186700
4-[(Dimethylamino)methyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one
CID 153352910
5-[2-(3-Methylazetidin-1-yl)ethyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one
CID 156284109
N-(5-amino-7-methyl-6-oxooctyl)cyclooctatetraenecarboxamide
CID 156413222

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one?
The IUPAC name of 5-[(dimethylamino)methyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one (CID 146183379) is 5-[(dimethylamino)methyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one is CCCC(=O)C(CC(C)C)n1cc(CN(C)C)ccc1=O.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one?
The InChIKey is WGDDMPOJKMHOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-6-7-16(20)15(10-13(2)3)19-12-14(11-18(4)5)8-9-17(19)21/h8-9,12-13,15H,6-7,10-11H2,1-5H3.
What are the key properties of 5-[(dimethylamino)methyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one?
5-[(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 5-[(dimethylamino)methyl]-1-(2-methyl-5-oxooctan-4-yl)pyridin-2-one is sourced from PubChem (CID 146183379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).