1-(6-methyl-3-pyridinyl)-3-(2-pyridin-3-ylethyl)pyrrolidin-2-one

C17H19N3O — CID 91323687

IUPAC1-(6-methyl-3-pyridinyl)-3-(2-pyridin-3-ylethyl)pyrrolidin-2-one
SMILESCc1ccc(N2CCC(CCc3cccnc3)C2=O)cn1
InChIInChI=1S/C17H19N3O/c1-13-4-7-16(12-19-13)20-10-8-15(17(20)21)6-5-14-3-2-9-18-11-14/h2-4,7,9,11-12,15H,5-6,8,10H2,1H3
InChIKeyUHGDPMYUYRMELK-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.77
Rot. Bonds4

About 1-(6-methyl-3-pyridinyl)-3-(2-pyridin-3-ylethyl)pyrrolidin-2-one

1-(6-methyl-3-pyridinyl)-3-(2-pyridin-3-ylethyl)pyrrolidin-2-one (PubChem CID 91323687) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(6-methyl-3-pyridinyl)-3-(2-pyridin-3-ylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(6-methyl-3-pyridinyl)-3-(2-pyridin-3-ylethyl)pyrrolidin-2-one
PubChem CID91323687
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-(6-methyl-3-pyridinyl)-3-(2-pyridin-3-ylethyl)pyrrolidin-2-one
SMILESCc1ccc(N2CCC(CCc3cccnc3)C2=O)cn1
InChIInChI=1S/C17H19N3O/c1-13-4-7-16(12-19-13)20-10-8-15(17(20)21)6-5-14-3-2-9-18-11-14/h2-4,7,9,11-12,15H,5-6,8,10H2,1H3
InChIKeyUHGDPMYUYRMELK-UHFFFAOYSA-N
XLogP2.77
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-3-pyridinyl)-3-(2-pyridin-3-ylethyl)pyrrolidin-2-one?
The IUPAC name of 1-(6-methyl-3-pyridinyl)-3-(2-pyridin-3-ylethyl)pyrrolidin-2-one (CID 91323687) is 1-(6-methyl-3-pyridinyl)-3-(2-pyridin-3-ylethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(6-methyl-3-pyridinyl)-3-(2-pyridin-3-ylethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(6-methyl-3-pyridinyl)-3-(2-pyridin-3-ylethyl)pyrrolidin-2-one is Cc1ccc(N2CCC(CCc3cccnc3)C2=O)cn1.
What is the InChIKey of 1-(6-methyl-3-pyridinyl)-3-(2-pyridin-3-ylethyl)pyrrolidin-2-one?
The InChIKey is UHGDPMYUYRMELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13-4-7-16(12-19-13)20-10-8-15(17(20)21)6-5-14-3-2-9-18-11-14/h2-4,7,9,11-12,15H,5-6,8,10H2,1H3.
What are the key properties of 1-(6-methyl-3-pyridinyl)-3-(2-pyridin-3-ylethyl)pyrrolidin-2-one?
1-(6-methyl-3-pyridinyl)-3-(2-pyridin-3-ylethyl)pyrrolidin-2-one has a molecular weight of 281.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3-pyridinyl)-3-(2-pyridin-3-ylethyl)pyrrolidin-2-one is sourced from PubChem (CID 91323687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).