5-[[4-(diethylamino)phenyl]methylamino]-1-methylpyridin-2-one

C17H23N3O — CID 60931040

IUPAC5-[[4-(diethylamino)phenyl]methylamino]-1-methylpyridin-2-one
SMILESCCN(CC)c1ccc(CNc2ccc(=O)n(C)c2)cc1
InChIInChI=1S/C17H23N3O/c1-4-20(5-2)16-9-6-14(7-10-16)12-18-15-8-11-17(21)19(3)13-15/h6-11,13,18H,4-5,12H2,1-3H3
InChIKeyYYKVQNOMOAMINU-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.84
Rot. Bonds6

About 5-[[4-(diethylamino)phenyl]methylamino]-1-methylpyridin-2-one

5-[[4-(diethylamino)phenyl]methylamino]-1-methylpyridin-2-one (PubChem CID 60931040) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-[[4-(diethylamino)phenyl]methylamino]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[[4-(diethylamino)phenyl]methylamino]-1-methylpyridin-2-one
PubChem CID60931040
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name5-[[4-(diethylamino)phenyl]methylamino]-1-methylpyridin-2-one
SMILESCCN(CC)c1ccc(CNc2ccc(=O)n(C)c2)cc1
InChIInChI=1S/C17H23N3O/c1-4-20(5-2)16-9-6-14(7-10-16)12-18-15-8-11-17(21)19(3)13-15/h6-11,13,18H,4-5,12H2,1-3H3
InChIKeyYYKVQNOMOAMINU-UHFFFAOYSA-N
XLogP2.84
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

5-[(4-hydroxyphenyl)methylamino]-1-methylpyridin-2-one
CID 54866090
4-(diethylamino)-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 51094945
5-[(5-ethylfuran-2-yl)methylamino]-1-methylpyridin-2-one
CID 62345999
5-[(5-ethylthiophen-2-yl)methylamino]-1-methylpyridin-2-one
CID 62345735
5-[(3-ethoxyphenyl)methylamino]-1-methylpyridin-2-one
CID 54866082
1-ethyl-5-[(4-ethylphenyl)methylamino]pyridin-2-one
CID 54864000
5-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]-1-methylpyridin-2-one
CID 60931968
1-methyl-5-(2-methylbutylamino)pyridin-2-one
CID 60931970
N-[[4-(diethylamino)phenyl]methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664920
1-methyl-5-[(2-methylpyrazol-3-yl)methylamino]pyridin-2-one
CID 60930659
5-(furan-2-ylmethylamino)-1-methylpyridin-2-one
CID 60930782
3-bromo-N-[[4-(diethylamino)phenyl]methyl]-5-methylaniline
CID 107582087

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(diethylamino)phenyl]methylamino]-1-methylpyridin-2-one?
The IUPAC name of 5-[[4-(diethylamino)phenyl]methylamino]-1-methylpyridin-2-one (CID 60931040) is 5-[[4-(diethylamino)phenyl]methylamino]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[[4-(diethylamino)phenyl]methylamino]-1-methylpyridin-2-one?
The canonical SMILES for 5-[[4-(diethylamino)phenyl]methylamino]-1-methylpyridin-2-one is CCN(CC)c1ccc(CNc2ccc(=O)n(C)c2)cc1.
What is the InChIKey of 5-[[4-(diethylamino)phenyl]methylamino]-1-methylpyridin-2-one?
The InChIKey is YYKVQNOMOAMINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-20(5-2)16-9-6-14(7-10-16)12-18-15-8-11-17(21)19(3)13-15/h6-11,13,18H,4-5,12H2,1-3H3.
What are the key properties of 5-[[4-(diethylamino)phenyl]methylamino]-1-methylpyridin-2-one?
5-[[4-(diethylamino)phenyl]methylamino]-1-methylpyridin-2-one has a molecular weight of 285.39 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(diethylamino)phenyl]methylamino]-1-methylpyridin-2-one is sourced from PubChem (CID 60931040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).