3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methylpyridin-2-one

C14H22N2O2 — CID 82524754

IUPAC3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methylpyridin-2-one
SMILESCOCCCn1c(C)ccc(CNC2CC2)c1=O
InChIInChI=1S/C14H22N2O2/c1-11-4-5-12(10-15-13-6-7-13)14(17)16(11)8-3-9-18-2/h4-5,13,15H,3,6-10H2,1-2H3
InChIKeyVOVPJUWNGXWMCE-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.45
Rot. Bonds7

About 3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methylpyridin-2-one

3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methylpyridin-2-one (PubChem CID 82524754) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methylpyridin-2-one
PubChem CID82524754
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methylpyridin-2-one
SMILESCOCCCn1c(C)ccc(CNC2CC2)c1=O
InChIInChI=1S/C14H22N2O2/c1-11-4-5-12(10-15-13-6-7-13)14(17)16(11)8-3-9-18-2/h4-5,13,15H,3,6-10H2,1-2H3
InChIKeyVOVPJUWNGXWMCE-UHFFFAOYSA-N
XLogP1.45
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(cyclopropylamino)methyl]-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 82524810
3-(butylaminomethyl)-1-(3-methoxypropyl)-6-methylpyridin-2-one
CID 82524753
3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521754
3-[(cyclopentylamino)methyl]-6-methyl-1-(2-methylpropyl)pyridin-2-one
CID 82525035
N-[[3-(3-methoxypropyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65172064
N-[[2-ethyl-5-(3-methoxypropyl)phenyl]methyl]cyclopropanamine
CID 66899598
1-(2-methoxyethyl)-6-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82524808
1-butyl-6-methyl-3-(propylaminomethyl)pyridin-2-one
CID 82525151
6-tert-butyl-3-[(2-methoxyethylamino)methyl]-1-(3-methoxypropyl)pyridin-2-one
CID 82523455
3-[(cyclopropylamino)methyl]-6-(2,4-dimethylphenyl)-1-propylpyridin-2-one
CID 82520275
N-[[4-bromo-1-(3-methoxypropyl)indol-3-yl]methyl]cyclopropanamine
CID 59494491
6-tert-butyl-1-(3-methoxypropyl)-3-(propylaminomethyl)pyridin-2-one
CID 82523460

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methylpyridin-2-one?
The IUPAC name of 3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methylpyridin-2-one (CID 82524754) is 3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methylpyridin-2-one.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methylpyridin-2-one?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methylpyridin-2-one is COCCCn1c(C)ccc(CNC2CC2)c1=O.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methylpyridin-2-one?
The InChIKey is VOVPJUWNGXWMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11-4-5-12(10-15-13-6-7-13)14(17)16(11)8-3-9-18-2/h4-5,13,15H,3,6-10H2,1-2H3.
What are the key properties of 3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methylpyridin-2-one?
3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methylpyridin-2-one has a molecular weight of 250.34 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methylpyridin-2-one is sourced from PubChem (CID 82524754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).