1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one

C11H18N2O — CID 82527314

IUPAC1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
SMILESCC(C)CNCc1cccn(C)c1=O
InChIInChI=1S/C11H18N2O/c1-9(2)7-12-8-10-5-4-6-13(3)11(10)14/h4-6,9,12H,7-8H2,1-3H3
InChIKeyGFAGYMCRSVXZAQ-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.13
Rot. Bonds4

About 1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one

1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one (PubChem CID 82527314) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
PubChem CID82527314
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
SMILESCC(C)CNCc1cccn(C)c1=O
InChIInChI=1S/C11H18N2O/c1-9(2)7-12-8-10-5-4-6-13(3)11(10)14/h4-6,9,12H,7-8H2,1-3H3
InChIKeyGFAGYMCRSVXZAQ-UHFFFAOYSA-N
XLogP1.13
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82527082
1-cyclopentyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82526599
1-(3-methylbutyl)-3-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridin-2-one
CID 82524193
N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2-phenylacetamide
CID 110730343
1-(2-methoxyethyl)-6-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82524808
6-tert-butyl-3-[(2-methylpropylamino)methyl]-1-propan-2-ylpyridin-2-one
CID 82523790
4-[(2-methylpropylamino)methyl]-6-phenyl-2-propylpyridazin-3-one
CID 82446587
N-[(1-methyl-2-oxo-3-pyridinyl)methyl]pentanamide
CID 110730308
2-methyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one
CID 82443125
2,6-dimethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
CID 82442625
2-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 63059430
6-tert-butyl-1-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82523492

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one?
The IUPAC name of 1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one (CID 82527314) is 1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one?
The canonical SMILES for 1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one is CC(C)CNCc1cccn(C)c1=O.
What is the InChIKey of 1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one?
The InChIKey is GFAGYMCRSVXZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9(2)7-12-8-10-5-4-6-13(3)11(10)14/h4-6,9,12H,7-8H2,1-3H3.
What are the key properties of 1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one?
1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one has a molecular weight of 194.28 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one is sourced from PubChem (CID 82527314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).