1-[2-[3-(dimethylamino)-4-methylanilino]ethyl]pyridin-2-one

C16H21N3O — CID 82897970

IUPAC1-[2-[3-(dimethylamino)-4-methylanilino]ethyl]pyridin-2-one
SMILESCc1ccc(NCCn2ccccc2=O)cc1N(C)C
InChIInChI=1S/C16H21N3O/c1-13-7-8-14(12-15(13)18(2)3)17-9-11-19-10-5-4-6-16(19)20/h4-8,10,12,17H,9,11H2,1-3H3
InChIKeyCEJIPIOUMXKQBT-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.33
Rot. Bonds5

About 1-[2-[3-(dimethylamino)-4-methylanilino]ethyl]pyridin-2-one

1-[2-[3-(dimethylamino)-4-methylanilino]ethyl]pyridin-2-one (PubChem CID 82897970) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[2-[3-(dimethylamino)-4-methylanilino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[3-(dimethylamino)-4-methylanilino]ethyl]pyridin-2-one
PubChem CID82897970
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-[2-[3-(dimethylamino)-4-methylanilino]ethyl]pyridin-2-one
SMILESCc1ccc(NCCn2ccccc2=O)cc1N(C)C
InChIInChI=1S/C16H21N3O/c1-13-7-8-14(12-15(13)18(2)3)17-9-11-19-10-5-4-6-16(19)20/h4-8,10,12,17H,9,11H2,1-3H3
InChIKeyCEJIPIOUMXKQBT-UHFFFAOYSA-N
XLogP2.33
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(dimethylamino)-4-methylanilino]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[3-(dimethylamino)-4-methylanilino]ethyl]pyridin-2-one (CID 82897970) is 1-[2-[3-(dimethylamino)-4-methylanilino]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[3-(dimethylamino)-4-methylanilino]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[3-(dimethylamino)-4-methylanilino]ethyl]pyridin-2-one is Cc1ccc(NCCn2ccccc2=O)cc1N(C)C.
What is the InChIKey of 1-[2-[3-(dimethylamino)-4-methylanilino]ethyl]pyridin-2-one?
The InChIKey is CEJIPIOUMXKQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-13-7-8-14(12-15(13)18(2)3)17-9-11-19-10-5-4-6-16(19)20/h4-8,10,12,17H,9,11H2,1-3H3.
What are the key properties of 1-[2-[3-(dimethylamino)-4-methylanilino]ethyl]pyridin-2-one?
1-[2-[3-(dimethylamino)-4-methylanilino]ethyl]pyridin-2-one has a molecular weight of 271.36 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(dimethylamino)-4-methylanilino]ethyl]pyridin-2-one is sourced from PubChem (CID 82897970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).