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

C19H32N2O2 — CID 146186700

IUPAC5-[(dimethylamino)methyl]-1-(2-methyl-5-oxodecan-4-yl)pyridin-2-one
SMILESCCCCCC(=O)C(CC(C)C)n1cc(CN(C)C)ccc1=O
InChIInChI=1S/C19H32N2O2/c1-6-7-8-9-18(22)17(12-15(2)3)21-14-16(13-20(4)5)10-11-19(21)23/h10-11,14-15,17H,6-9,12-13H2,1-5H3
InChIKeyTZZFCZWHDUKMJG-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.65
Rot. Bonds10

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

5-[(dimethylamino)methyl]-1-(2-methyl-5-oxodecan-4-yl)pyridin-2-one (PubChem CID 146186700) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-(2-methyl-5-oxodecan-4-yl)pyridin-2-one.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-(2-methyl-5-oxodecan-4-yl)pyridin-2-one
PubChem CID146186700
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name5-[(dimethylamino)methyl]-1-(2-methyl-5-oxodecan-4-yl)pyridin-2-one
SMILESCCCCCC(=O)C(CC(C)C)n1cc(CN(C)C)ccc1=O
InChIInChI=1S/C19H32N2O2/c1-6-7-8-9-18(22)17(12-15(2)3)21-14-16(13-20(4)5)10-11-19(21)23/h10-11,14-15,17H,6-9,12-13H2,1-5H3
InChIKeyTZZFCZWHDUKMJG-UHFFFAOYSA-N
XLogP3.65
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 5-[(dimethylamino)methyl]-1-(2-methyl-5-oxodecan-4-yl)pyridin-2-one?
The IUPAC name of 5-[(dimethylamino)methyl]-1-(2-methyl-5-oxodecan-4-yl)pyridin-2-one (CID 146186700) is 5-[(dimethylamino)methyl]-1-(2-methyl-5-oxodecan-4-yl)pyridin-2-one.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-(2-methyl-5-oxodecan-4-yl)pyridin-2-one?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-(2-methyl-5-oxodecan-4-yl)pyridin-2-one is CCCCCC(=O)C(CC(C)C)n1cc(CN(C)C)ccc1=O.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-(2-methyl-5-oxodecan-4-yl)pyridin-2-one?
The InChIKey is TZZFCZWHDUKMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-6-7-8-9-18(22)17(12-15(2)3)21-14-16(13-20(4)5)10-11-19(21)23/h10-11,14-15,17H,6-9,12-13H2,1-5H3.
What are the key properties of 5-[(dimethylamino)methyl]-1-(2-methyl-5-oxodecan-4-yl)pyridin-2-one?
5-[(dimethylamino)methyl]-1-(2-methyl-5-oxodecan-4-yl)pyridin-2-one has a molecular weight of 320.48 g/mol, XLogP of 3.65, 10 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-oxodecan-4-yl)pyridin-2-one is sourced from PubChem (CID 146186700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).