1-(3-aminopropyl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one

C17H20N2O — CID 82063283

IUPAC1-(3-aminopropyl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one
SMILESCc1cccc(/C=C/c2ccn(CCCN)c(=O)c2)c1
InChIInChI=1S/C17H20N2O/c1-14-4-2-5-15(12-14)6-7-16-8-11-19(10-3-9-18)17(20)13-16/h2,4-8,11-13H,3,9-10,18H2,1H3/b7-6+
InChIKeyOCUFJQQWIMAUMC-VOTSOKGWSA-N
MW268.36 g/mol
LogP2.68
Rot. Bonds5

About 1-(3-aminopropyl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one

1-(3-aminopropyl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one (PubChem CID 82063283) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(3-aminopropyl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one.

Molecular Properties

Compound Name1-(3-aminopropyl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one
PubChem CID82063283
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-(3-aminopropyl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one
SMILESCc1cccc(/C=C/c2ccn(CCCN)c(=O)c2)c1
InChIInChI=1S/C17H20N2O/c1-14-4-2-5-15(12-14)6-7-16-8-11-19(10-3-9-18)17(20)13-16/h2,4-8,11-13H,3,9-10,18H2,1H3/b7-6+
InChIKeyOCUFJQQWIMAUMC-VOTSOKGWSA-N
XLogP2.68
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxypropyl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one
CID 82150999
1-(2-aminoethyl)-4-[(E)-2-phenylethenyl]pyridin-2-one
CID 82063293
1-[(4-aminophenyl)methyl]-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one
CID 94758175
1-(1-aminopropan-2-yl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one
CID 82143926
4-[[4-[(E)-2-(3-methylphenyl)ethenyl]-2-oxo-1-pyridinyl]methyl]benzonitrile
CID 82150701
4-[(E)-2-(3-methylphenyl)ethenyl]-1-(piperidin-4-ylmethyl)pyridin-2-one
CID 94757606
1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 12625550
1-(2-aminoethyl)-4-[(E)-2-(4-ethylphenyl)ethenyl]pyridin-2-one
CID 82063295
1-(3-aminopropyl)-5-(3-methylphenyl)pyridin-2-one
CID 82117733
2-(4-aminobutyl)-6-methylisoquinolin-1-one
CID 82063079
3-(3-aminopropyl)-6-methyl-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 22484627
1-[2-(2-aminoethoxy)ethyl]-4-[(E)-2-(4-ethylphenyl)ethenyl]pyridin-2-one
CID 94746444

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one?
The IUPAC name of 1-(3-aminopropyl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one (CID 82063283) is 1-(3-aminopropyl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one.
What is the SMILES notation for 1-(3-aminopropyl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one?
The canonical SMILES for 1-(3-aminopropyl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one is Cc1cccc(/C=C/c2ccn(CCCN)c(=O)c2)c1.
What is the InChIKey of 1-(3-aminopropyl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one?
The InChIKey is OCUFJQQWIMAUMC-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H20N2O/c1-14-4-2-5-15(12-14)6-7-16-8-11-19(10-3-9-18)17(20)13-16/h2,4-8,11-13H,3,9-10,18H2,1H3/b7-6+.
What are the key properties of 1-(3-aminopropyl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one?
1-(3-aminopropyl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one has a molecular weight of 268.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one is sourced from PubChem (CID 82063283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).