1-(3-aminopropyl)-5-(3-methylphenyl)pyridin-2-one

C15H18N2O — CID 82117733

IUPAC1-(3-aminopropyl)-5-(3-methylphenyl)pyridin-2-one
SMILESCc1cccc(-c2ccc(=O)n(CCCN)c2)c1
InChIInChI=1S/C15H18N2O/c1-12-4-2-5-13(10-12)14-6-7-15(18)17(11-14)9-3-8-16/h2,4-7,10-11H,3,8-9,16H2,1H3
InChIKeyWRWLYLVKXHUSPC-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.17
Rot. Bonds4

About 1-(3-aminopropyl)-5-(3-methylphenyl)pyridin-2-one

1-(3-aminopropyl)-5-(3-methylphenyl)pyridin-2-one (PubChem CID 82117733) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(3-aminopropyl)-5-(3-methylphenyl)pyridin-2-one.

Molecular Properties

Compound Name1-(3-aminopropyl)-5-(3-methylphenyl)pyridin-2-one
PubChem CID82117733
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-(3-aminopropyl)-5-(3-methylphenyl)pyridin-2-one
SMILESCc1cccc(-c2ccc(=O)n(CCCN)c2)c1
InChIInChI=1S/C15H18N2O/c1-12-4-2-5-13(10-12)14-6-7-15(18)17(11-14)9-3-8-16/h2,4-7,10-11H,3,8-9,16H2,1H3
InChIKeyWRWLYLVKXHUSPC-UHFFFAOYSA-N
XLogP2.17
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminopropyl)-5-(4-methylphenyl)pyridin-2-one
CID 82117734
1-(2-aminoethyl)-5-phenylpyridin-2-one
CID 82113594
1-(4-aminobutyl)-5-methylpyridin-2-one
CID 82032115
5-amino-1-(3-aminopropyl)pyridin-2-one
CID 82503026
1-(3-aminopropyl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one
CID 82063283
[1-methyl-4-(3-methylphenyl)pyrrol-2-yl]methanamine
CID 117001466
1-(3-methylbutyl)-5-[3-(methylsulfonylmethyl)phenyl]pyridin-2-one
CID 159540650
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418
2-[5-(3-methylphenyl)-1-octylindol-3-yl]-2-oxoacetamide
CID 118283201
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-5-(3-methylphenyl)pyridin-2-one?
The IUPAC name of 1-(3-aminopropyl)-5-(3-methylphenyl)pyridin-2-one (CID 82117733) is 1-(3-aminopropyl)-5-(3-methylphenyl)pyridin-2-one.
What is the SMILES notation for 1-(3-aminopropyl)-5-(3-methylphenyl)pyridin-2-one?
The canonical SMILES for 1-(3-aminopropyl)-5-(3-methylphenyl)pyridin-2-one is Cc1cccc(-c2ccc(=O)n(CCCN)c2)c1.
What is the InChIKey of 1-(3-aminopropyl)-5-(3-methylphenyl)pyridin-2-one?
The InChIKey is WRWLYLVKXHUSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-12-4-2-5-13(10-12)14-6-7-15(18)17(11-14)9-3-8-16/h2,4-7,10-11H,3,8-9,16H2,1H3.
What are the key properties of 1-(3-aminopropyl)-5-(3-methylphenyl)pyridin-2-one?
1-(3-aminopropyl)-5-(3-methylphenyl)pyridin-2-one has a molecular weight of 242.32 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-5-(3-methylphenyl)pyridin-2-one is sourced from PubChem (CID 82117733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).