4-methyl-1-[4-(methylamino)butyl]pyridin-2-one

C11H18N2O — CID 62988015

IUPAC4-methyl-1-[4-(methylamino)butyl]pyridin-2-one
SMILESCNCCCCn1ccc(C)cc1=O
InChIInChI=1S/C11H18N2O/c1-10-5-8-13(11(14)9-10)7-4-3-6-12-2/h5,8-9,12H,3-4,6-7H2,1-2H3
InChIKeyZUBAHMUETYQRFW-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.16
Rot. Bonds5

About 4-methyl-1-[4-(methylamino)butyl]pyridin-2-one

4-methyl-1-[4-(methylamino)butyl]pyridin-2-one (PubChem CID 62988015) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-methyl-1-[4-(methylamino)butyl]pyridin-2-one.

Molecular Properties

Compound Name4-methyl-1-[4-(methylamino)butyl]pyridin-2-one
PubChem CID62988015
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-methyl-1-[4-(methylamino)butyl]pyridin-2-one
SMILESCNCCCCn1ccc(C)cc1=O
InChIInChI=1S/C11H18N2O/c1-10-5-8-13(11(14)9-10)7-4-3-6-12-2/h5,8-9,12H,3-4,6-7H2,1-2H3
InChIKeyZUBAHMUETYQRFW-UHFFFAOYSA-N
XLogP1.16
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1-[3-(methylamino)propyl]pyridin-2-one
CID 62961955
4-methyl-1-[2-(methylamino)ethyl]pyridin-2-one
CID 62962145
1-[4-(cyclopropylamino)butyl]-4-methylpyridin-2-one
CID 62988187
4-methyl-1-octylpyridin-2-one
CID 116622543
4-methyl-1-[3-(propylamino)propyl]pyridin-2-one
CID 62961956
methyl 4-(4-methyl-2-oxo-1-pyridinyl)butanoate
CID 62960871
N,N-dimethyl-3-(4-methyl-2-oxo-1-pyridinyl)propanamide
CID 116622594
4-methyl-1-(2-methylsulfanylethyl)pyridin-2-one
CID 115900483
1-[2-(dicyclopropylmethylamino)ethyl]-4-methylpyridin-2-one
CID 55151989
methyl 2-(4-methyl-2-oxo-1-pyridinyl)acetate
CID 59562280
1-[2-(1-cyclopropylethylamino)ethyl]-4-methylpyridin-2-one
CID 62987133
3-[3-(4-methyl-2-oxo-1-pyridinyl)propyl]imidazolidine-2,4-dione
CID 132970535

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-(methylamino)butyl]pyridin-2-one?
The IUPAC name of 4-methyl-1-[4-(methylamino)butyl]pyridin-2-one (CID 62988015) is 4-methyl-1-[4-(methylamino)butyl]pyridin-2-one.
What is the SMILES notation for 4-methyl-1-[4-(methylamino)butyl]pyridin-2-one?
The canonical SMILES for 4-methyl-1-[4-(methylamino)butyl]pyridin-2-one is CNCCCCn1ccc(C)cc1=O.
What is the InChIKey of 4-methyl-1-[4-(methylamino)butyl]pyridin-2-one?
The InChIKey is ZUBAHMUETYQRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-10-5-8-13(11(14)9-10)7-4-3-6-12-2/h5,8-9,12H,3-4,6-7H2,1-2H3.
What are the key properties of 4-methyl-1-[4-(methylamino)butyl]pyridin-2-one?
4-methyl-1-[4-(methylamino)butyl]pyridin-2-one has a molecular weight of 194.28 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-(methylamino)butyl]pyridin-2-one is sourced from PubChem (CID 62988015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).