5-[(2-methylphenyl)methylamino]-1-propylpyridin-2-one

C16H20N2O — CID 54863932

IUPAC5-[(2-methylphenyl)methylamino]-1-propylpyridin-2-one
SMILESCCCn1cc(NCc2ccccc2C)ccc1=O
InChIInChI=1S/C16H20N2O/c1-3-10-18-12-15(8-9-16(18)19)17-11-14-7-5-4-6-13(14)2/h4-9,12,17H,3,10-11H2,1-2H3
InChIKeyAHQQCEDTQWQSPO-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.18
Rot. Bonds5

About 5-[(2-methylphenyl)methylamino]-1-propylpyridin-2-one

5-[(2-methylphenyl)methylamino]-1-propylpyridin-2-one (PubChem CID 54863932) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-[(2-methylphenyl)methylamino]-1-propylpyridin-2-one.

Molecular Properties

Compound Name5-[(2-methylphenyl)methylamino]-1-propylpyridin-2-one
PubChem CID54863932
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name5-[(2-methylphenyl)methylamino]-1-propylpyridin-2-one
SMILESCCCn1cc(NCc2ccccc2C)ccc1=O
InChIInChI=1S/C16H20N2O/c1-3-10-18-12-15(8-9-16(18)19)17-11-14-7-5-4-6-13(14)2/h4-9,12,17H,3,10-11H2,1-2H3
InChIKeyAHQQCEDTQWQSPO-UHFFFAOYSA-N
XLogP3.18
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-chlorophenyl)methylamino]-1-propylpyridin-2-one
CID 54863887
2-[[(6-oxo-1-propyl-3-pyridinyl)amino]methyl]benzonitrile
CID 107935934
5-[(2-hydroxy-5-methylphenyl)methylamino]-1-propylpyridin-2-one
CID 63324996
1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 102345817
5-[(5-bromo-2-hydroxyphenyl)methylamino]-1-propylpyridin-2-one
CID 107737829
1-propyl-5-(prop-2-ynylamino)pyridin-2-one
CID 63951085
1-ethyl-5-[(1-propylpyrrol-2-yl)methylamino]pyridin-2-one
CID 66410985
5-[(2-ethoxyphenyl)methylamino]-1-ethylpyridin-2-one
CID 60944031
1-propyl-5-[(2-propylpyrazol-3-yl)methylamino]pyridin-2-one
CID 114555520
5-[(3-aminothiophen-2-yl)methylamino]-1-propylpyridin-2-one
CID 66386976
5-[(5-bromothiophen-3-yl)methylamino]-1-propylpyridin-2-one
CID 54863781
2-[5-[[(6-oxo-1-propyl-3-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid
CID 82887384

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylphenyl)methylamino]-1-propylpyridin-2-one?
The IUPAC name of 5-[(2-methylphenyl)methylamino]-1-propylpyridin-2-one (CID 54863932) is 5-[(2-methylphenyl)methylamino]-1-propylpyridin-2-one.
What is the SMILES notation for 5-[(2-methylphenyl)methylamino]-1-propylpyridin-2-one?
The canonical SMILES for 5-[(2-methylphenyl)methylamino]-1-propylpyridin-2-one is CCCn1cc(NCc2ccccc2C)ccc1=O.
What is the InChIKey of 5-[(2-methylphenyl)methylamino]-1-propylpyridin-2-one?
The InChIKey is AHQQCEDTQWQSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-10-18-12-15(8-9-16(18)19)17-11-14-7-5-4-6-13(14)2/h4-9,12,17H,3,10-11H2,1-2H3.
What are the key properties of 5-[(2-methylphenyl)methylamino]-1-propylpyridin-2-one?
5-[(2-methylphenyl)methylamino]-1-propylpyridin-2-one has a molecular weight of 256.35 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylphenyl)methylamino]-1-propylpyridin-2-one is sourced from PubChem (CID 54863932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).