1-[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]-2-(5-hydroxy-2-pyridinyl)ethanone

C19H22N2O2 — CID 166277963

IUPAC1-[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]-2-(5-hydroxy-2-pyridinyl)ethanone
SMILESCc1ccc(C2CCN(C(=O)Cc3ccc(O)cn3)C2)c(C)c1
InChIInChI=1S/C19H22N2O2/c1-13-3-6-18(14(2)9-13)15-7-8-21(12-15)19(23)10-16-4-5-17(22)11-20-16/h3-6,9,11,15,22H,7-8,10,12H2,1-2H3
InChIKeySMBQCABETZYNTJ-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.96
Rot. Bonds3

About 1-[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]-2-(5-hydroxy-2-pyridinyl)ethanone

1-[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]-2-(5-hydroxy-2-pyridinyl)ethanone (PubChem CID 166277963) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]-2-(5-hydroxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]-2-(5-hydroxy-2-pyridinyl)ethanone
PubChem CID166277963
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]-2-(5-hydroxy-2-pyridinyl)ethanone
SMILESCc1ccc(C2CCN(C(=O)Cc3ccc(O)cn3)C2)c(C)c1
InChIInChI=1S/C19H22N2O2/c1-13-3-6-18(14(2)9-13)15-7-8-21(12-15)19(23)10-16-4-5-17(22)11-20-16/h3-6,9,11,15,22H,7-8,10,12H2,1-2H3
InChIKeySMBQCABETZYNTJ-UHFFFAOYSA-N
XLogP2.96
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]-2-(5-hydroxy-2-pyridinyl)ethanone?
The IUPAC name of 1-[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]-2-(5-hydroxy-2-pyridinyl)ethanone (CID 166277963) is 1-[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]-2-(5-hydroxy-2-pyridinyl)ethanone.
What is the SMILES notation for 1-[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]-2-(5-hydroxy-2-pyridinyl)ethanone?
The canonical SMILES for 1-[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]-2-(5-hydroxy-2-pyridinyl)ethanone is Cc1ccc(C2CCN(C(=O)Cc3ccc(O)cn3)C2)c(C)c1.
What is the InChIKey of 1-[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]-2-(5-hydroxy-2-pyridinyl)ethanone?
The InChIKey is SMBQCABETZYNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13-3-6-18(14(2)9-13)15-7-8-21(12-15)19(23)10-16-4-5-17(22)11-20-16/h3-6,9,11,15,22H,7-8,10,12H2,1-2H3.
What are the key properties of 1-[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]-2-(5-hydroxy-2-pyridinyl)ethanone?
1-[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]-2-(5-hydroxy-2-pyridinyl)ethanone has a molecular weight of 310.40 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]-2-(5-hydroxy-2-pyridinyl)ethanone is sourced from PubChem (CID 166277963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).