4-methyl-1-[3-(methylamino)propyl]pyridin-2-one

C10H16N2O — CID 62961955

IUPAC4-methyl-1-[3-(methylamino)propyl]pyridin-2-one
SMILESCNCCCn1ccc(C)cc1=O
InChIInChI=1S/C10H16N2O/c1-9-4-7-12(10(13)8-9)6-3-5-11-2/h4,7-8,11H,3,5-6H2,1-2H3
InChIKeyNOUBRUPRZMOHHP-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.77
Rot. Bonds4

About 4-methyl-1-[3-(methylamino)propyl]pyridin-2-one

4-methyl-1-[3-(methylamino)propyl]pyridin-2-one (PubChem CID 62961955) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-methyl-1-[3-(methylamino)propyl]pyridin-2-one.

Molecular Properties

Compound Name4-methyl-1-[3-(methylamino)propyl]pyridin-2-one
PubChem CID62961955
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-methyl-1-[3-(methylamino)propyl]pyridin-2-one
SMILESCNCCCn1ccc(C)cc1=O
InChIInChI=1S/C10H16N2O/c1-9-4-7-12(10(13)8-9)6-3-5-11-2/h4,7-8,11H,3,5-6H2,1-2H3
InChIKeyNOUBRUPRZMOHHP-UHFFFAOYSA-N
XLogP0.77
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.77
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[3-(methylamino)propyl]pyridin-2-one?
The IUPAC name of 4-methyl-1-[3-(methylamino)propyl]pyridin-2-one (CID 62961955) is 4-methyl-1-[3-(methylamino)propyl]pyridin-2-one.
What is the SMILES notation for 4-methyl-1-[3-(methylamino)propyl]pyridin-2-one?
The canonical SMILES for 4-methyl-1-[3-(methylamino)propyl]pyridin-2-one is CNCCCn1ccc(C)cc1=O.
What is the InChIKey of 4-methyl-1-[3-(methylamino)propyl]pyridin-2-one?
The InChIKey is NOUBRUPRZMOHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-9-4-7-12(10(13)8-9)6-3-5-11-2/h4,7-8,11H,3,5-6H2,1-2H3.
What are the key properties of 4-methyl-1-[3-(methylamino)propyl]pyridin-2-one?
4-methyl-1-[3-(methylamino)propyl]pyridin-2-one has a molecular weight of 180.25 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[3-(methylamino)propyl]pyridin-2-one is sourced from PubChem (CID 62961955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).