3-[ethyl(pyridin-4-ylmethyl)amino]-1-phenylpyrrolidin-2-one

C18H21N3O — CID 71999706

IUPAC3-[ethyl(pyridin-4-ylmethyl)amino]-1-phenylpyrrolidin-2-one
SMILESCCN(Cc1ccncc1)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C18H21N3O/c1-2-20(14-15-8-11-19-12-9-15)17-10-13-21(18(17)22)16-6-4-3-5-7-16/h3-9,11-12,17H,2,10,13-14H2,1H3
InChIKeyXBOVLYFUUUFWQI-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.71
Rot. Bonds5

About 3-[ethyl(pyridin-4-ylmethyl)amino]-1-phenylpyrrolidin-2-one

3-[ethyl(pyridin-4-ylmethyl)amino]-1-phenylpyrrolidin-2-one (PubChem CID 71999706) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-[ethyl(pyridin-4-ylmethyl)amino]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[ethyl(pyridin-4-ylmethyl)amino]-1-phenylpyrrolidin-2-one
PubChem CID71999706
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name3-[ethyl(pyridin-4-ylmethyl)amino]-1-phenylpyrrolidin-2-one
SMILESCCN(Cc1ccncc1)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C18H21N3O/c1-2-20(14-15-8-11-19-12-9-15)17-10-13-21(18(17)22)16-6-4-3-5-7-16/h3-9,11-12,17H,2,10,13-14H2,1H3
InChIKeyXBOVLYFUUUFWQI-UHFFFAOYSA-N
XLogP2.71
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(pyridin-4-ylmethyl)amino]-1-phenylpyrrolidin-2-one?
The IUPAC name of 3-[ethyl(pyridin-4-ylmethyl)amino]-1-phenylpyrrolidin-2-one (CID 71999706) is 3-[ethyl(pyridin-4-ylmethyl)amino]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 3-[ethyl(pyridin-4-ylmethyl)amino]-1-phenylpyrrolidin-2-one?
The canonical SMILES for 3-[ethyl(pyridin-4-ylmethyl)amino]-1-phenylpyrrolidin-2-one is CCN(Cc1ccncc1)C1CCN(c2ccccc2)C1=O.
What is the InChIKey of 3-[ethyl(pyridin-4-ylmethyl)amino]-1-phenylpyrrolidin-2-one?
The InChIKey is XBOVLYFUUUFWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-2-20(14-15-8-11-19-12-9-15)17-10-13-21(18(17)22)16-6-4-3-5-7-16/h3-9,11-12,17H,2,10,13-14H2,1H3.
What are the key properties of 3-[ethyl(pyridin-4-ylmethyl)amino]-1-phenylpyrrolidin-2-one?
3-[ethyl(pyridin-4-ylmethyl)amino]-1-phenylpyrrolidin-2-one has a molecular weight of 295.39 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(pyridin-4-ylmethyl)amino]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 71999706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).