6-butyl-3-[[di(propan-2-yl)amino]methyl]-1H-pyridin-2-one

C16H28N2O — CID 19012369

IUPAC6-butyl-3-[[di(propan-2-yl)amino]methyl]-1H-pyridin-2-one
SMILESCCCCc1ccc(CN(C(C)C)C(C)C)c(=O)[nH]1
InChIInChI=1S/C16H28N2O/c1-6-7-8-15-10-9-14(16(19)17-15)11-18(12(2)3)13(4)5/h9-10,12-13H,6-8,11H2,1-5H3,(H,17,19)
InChIKeyHDKAKLARKOFSAU-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.34
Rot. Bonds7

About 6-butyl-3-[[di(propan-2-yl)amino]methyl]-1H-pyridin-2-one

6-butyl-3-[[di(propan-2-yl)amino]methyl]-1H-pyridin-2-one (PubChem CID 19012369) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 6-butyl-3-[[di(propan-2-yl)amino]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-butyl-3-[[di(propan-2-yl)amino]methyl]-1H-pyridin-2-one
PubChem CID19012369
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name6-butyl-3-[[di(propan-2-yl)amino]methyl]-1H-pyridin-2-one
SMILESCCCCc1ccc(CN(C(C)C)C(C)C)c(=O)[nH]1
InChIInChI=1S/C16H28N2O/c1-6-7-8-15-10-9-14(16(19)17-15)11-18(12(2)3)13(4)5/h9-10,12-13H,6-8,11H2,1-5H3,(H,17,19)
InChIKeyHDKAKLARKOFSAU-UHFFFAOYSA-N
XLogP3.34
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-3-[[di(propan-2-yl)amino]methyl]-1H-pyridin-2-one?
The IUPAC name of 6-butyl-3-[[di(propan-2-yl)amino]methyl]-1H-pyridin-2-one (CID 19012369) is 6-butyl-3-[[di(propan-2-yl)amino]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-butyl-3-[[di(propan-2-yl)amino]methyl]-1H-pyridin-2-one?
The canonical SMILES for 6-butyl-3-[[di(propan-2-yl)amino]methyl]-1H-pyridin-2-one is CCCCc1ccc(CN(C(C)C)C(C)C)c(=O)[nH]1.
What is the InChIKey of 6-butyl-3-[[di(propan-2-yl)amino]methyl]-1H-pyridin-2-one?
The InChIKey is HDKAKLARKOFSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-6-7-8-15-10-9-14(16(19)17-15)11-18(12(2)3)13(4)5/h9-10,12-13H,6-8,11H2,1-5H3,(H,17,19).
What are the key properties of 6-butyl-3-[[di(propan-2-yl)amino]methyl]-1H-pyridin-2-one?
6-butyl-3-[[di(propan-2-yl)amino]methyl]-1H-pyridin-2-one has a molecular weight of 264.41 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-3-[[di(propan-2-yl)amino]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 19012369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).