1-(3-aminopropyl)-5-(4-methylphenyl)pyridin-2-one

C15H18N2O — CID 82117734

IUPAC1-(3-aminopropyl)-5-(4-methylphenyl)pyridin-2-one
SMILESCc1ccc(-c2ccc(=O)n(CCCN)c2)cc1
InChIInChI=1S/C15H18N2O/c1-12-3-5-13(6-4-12)14-7-8-15(18)17(11-14)10-2-9-16/h3-8,11H,2,9-10,16H2,1H3
InChIKeyKVFCGYGGGOVHLS-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.17
Rot. Bonds4

About 1-(3-aminopropyl)-5-(4-methylphenyl)pyridin-2-one

1-(3-aminopropyl)-5-(4-methylphenyl)pyridin-2-one (PubChem CID 82117734) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(3-aminopropyl)-5-(4-methylphenyl)pyridin-2-one.

Molecular Properties

Compound Name1-(3-aminopropyl)-5-(4-methylphenyl)pyridin-2-one
PubChem CID82117734
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-(3-aminopropyl)-5-(4-methylphenyl)pyridin-2-one
SMILESCc1ccc(-c2ccc(=O)n(CCCN)c2)cc1
InChIInChI=1S/C15H18N2O/c1-12-3-5-13(6-4-12)14-7-8-15(18)17(11-14)10-2-9-16/h3-8,11H,2,9-10,16H2,1H3
InChIKeyKVFCGYGGGOVHLS-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-(3-methylphenyl)pyridin-2-one
CID 82117733
1-(4-aminobutyl)-5-methylpyridin-2-one
CID 82032115
1-(2-aminoethyl)-5-phenylpyridin-2-one
CID 82113594
5-amino-1-(3-aminopropyl)pyridin-2-one
CID 82503026
2-[5-(4-methylphenyl)-2-oxo-1-pyridinyl]acetic acid
CID 82117838
1-(4-iodobutyl)-5-methylpyridin-2-one
CID 171061446
3-(3-aminopropyl)-4-(4-methylphenyl)-1,3-thiazol-2-one
CID 82027849
5-[4-(aminomethyl)phenyl]-1-methylpyridin-2-one
CID 170269892
2-(4-aminobutyl)-6-methylisoquinolin-1-one
CID 82063079
1-(iodomethyl)-5-methylpyridin-2-one
CID 148677091
2-[5-(2,5-dimethylphenyl)-2-oxo-1-pyridinyl]acetic acid
CID 82120698
1-(3-aminopropyl)-3-[2-(4-methylphenoxy)ethoxy]pyridin-2-one
CID 82056283

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-5-(4-methylphenyl)pyridin-2-one?
The IUPAC name of 1-(3-aminopropyl)-5-(4-methylphenyl)pyridin-2-one (CID 82117734) is 1-(3-aminopropyl)-5-(4-methylphenyl)pyridin-2-one.
What is the SMILES notation for 1-(3-aminopropyl)-5-(4-methylphenyl)pyridin-2-one?
The canonical SMILES for 1-(3-aminopropyl)-5-(4-methylphenyl)pyridin-2-one is Cc1ccc(-c2ccc(=O)n(CCCN)c2)cc1.
What is the InChIKey of 1-(3-aminopropyl)-5-(4-methylphenyl)pyridin-2-one?
The InChIKey is KVFCGYGGGOVHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-12-3-5-13(6-4-12)14-7-8-15(18)17(11-14)10-2-9-16/h3-8,11H,2,9-10,16H2,1H3.
What are the key properties of 1-(3-aminopropyl)-5-(4-methylphenyl)pyridin-2-one?
1-(3-aminopropyl)-5-(4-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-(4-methylphenyl)pyridin-2-one is sourced from PubChem (CID 82117734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).