6-butyl-3-(methylaminomethyl)-1H-pyridin-2-one

C11H18N2O — CID 15290982

IUPAC6-butyl-3-(methylaminomethyl)-1H-pyridin-2-one
SMILESCCCCc1ccc(CNC)c(=O)[nH]1
InChIInChI=1S/C11H18N2O/c1-3-4-5-10-7-6-9(8-12-2)11(14)13-10/h6-7,12H,3-5,8H2,1-2H3,(H,13,14)
InChIKeyNHGXJDMHWZPVEK-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.44
Rot. Bonds5

About 6-butyl-3-(methylaminomethyl)-1H-pyridin-2-one

6-butyl-3-(methylaminomethyl)-1H-pyridin-2-one (PubChem CID 15290982) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 6-butyl-3-(methylaminomethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-butyl-3-(methylaminomethyl)-1H-pyridin-2-one
PubChem CID15290982
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name6-butyl-3-(methylaminomethyl)-1H-pyridin-2-one
SMILESCCCCc1ccc(CNC)c(=O)[nH]1
InChIInChI=1S/C11H18N2O/c1-3-4-5-10-7-6-9(8-12-2)11(14)13-10/h6-7,12H,3-5,8H2,1-2H3,(H,13,14)
InChIKeyNHGXJDMHWZPVEK-UHFFFAOYSA-N
XLogP1.44
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-3-(methylaminomethyl)-1H-pyridin-2-one?
The IUPAC name of 6-butyl-3-(methylaminomethyl)-1H-pyridin-2-one (CID 15290982) is 6-butyl-3-(methylaminomethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-butyl-3-(methylaminomethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-butyl-3-(methylaminomethyl)-1H-pyridin-2-one is CCCCc1ccc(CNC)c(=O)[nH]1.
What is the InChIKey of 6-butyl-3-(methylaminomethyl)-1H-pyridin-2-one?
The InChIKey is NHGXJDMHWZPVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-4-5-10-7-6-9(8-12-2)11(14)13-10/h6-7,12H,3-5,8H2,1-2H3,(H,13,14).
What are the key properties of 6-butyl-3-(methylaminomethyl)-1H-pyridin-2-one?
6-butyl-3-(methylaminomethyl)-1H-pyridin-2-one has a molecular weight of 194.28 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-3-(methylaminomethyl)-1H-pyridin-2-one is sourced from PubChem (CID 15290982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).