4-[(5-methoxy-3-pyridinyl)methyl]-1-phenylpyrrolidin-2-one

C17H18N2O2 — CID 91772946

IUPAC4-[(5-methoxy-3-pyridinyl)methyl]-1-phenylpyrrolidin-2-one
SMILESCOc1cncc(CC2CC(=O)N(c3ccccc3)C2)c1
InChIInChI=1S/C17H18N2O2/c1-21-16-8-13(10-18-11-16)7-14-9-17(20)19(12-14)15-5-3-2-4-6-15/h2-6,8,10-11,14H,7,9,12H2,1H3
InChIKeyCZAGEHBGALJKOO-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.69
Rot. Bonds4

About 4-[(5-methoxy-3-pyridinyl)methyl]-1-phenylpyrrolidin-2-one

4-[(5-methoxy-3-pyridinyl)methyl]-1-phenylpyrrolidin-2-one (PubChem CID 91772946) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[(5-methoxy-3-pyridinyl)methyl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[(5-methoxy-3-pyridinyl)methyl]-1-phenylpyrrolidin-2-one
PubChem CID91772946
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name4-[(5-methoxy-3-pyridinyl)methyl]-1-phenylpyrrolidin-2-one
SMILESCOc1cncc(CC2CC(=O)N(c3ccccc3)C2)c1
InChIInChI=1S/C17H18N2O2/c1-21-16-8-13(10-18-11-16)7-14-9-17(20)19(12-14)15-5-3-2-4-6-15/h2-6,8,10-11,14H,7,9,12H2,1H3
InChIKeyCZAGEHBGALJKOO-UHFFFAOYSA-N
XLogP2.69
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-[[5-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]methyl]-1-phenylpyrrolidin-2-one
CID 124754080
1-phenyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 91784595
(4S)-4-[(5-acetyl-2-pyridinyl)methyl]-1-phenylpyrrolidin-2-one
CID 124851229
4-(bromomethyl)-1-phenylpyrrolidin-2-one
CID 23591967
1-(4-methoxyphenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670171
1-phenyl-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672207
(4R)-4-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-1-phenylpyrrolidin-2-one
CID 124728087
4-[(5-ethyl-2-methylpyrimidin-4-yl)methyl]-1-phenylpyrrolidin-2-one
CID 91759927
4-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]methyl]-1-phenylpyrrolidin-2-one
CID 91840000
1-(4-methoxyphenyl)-3-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]urea
CID 16919921
4-(chloromethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one
CID 168508906
3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-5-methoxybenzoic acid
CID 168507565

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methoxy-3-pyridinyl)methyl]-1-phenylpyrrolidin-2-one?
The IUPAC name of 4-[(5-methoxy-3-pyridinyl)methyl]-1-phenylpyrrolidin-2-one (CID 91772946) is 4-[(5-methoxy-3-pyridinyl)methyl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 4-[(5-methoxy-3-pyridinyl)methyl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for 4-[(5-methoxy-3-pyridinyl)methyl]-1-phenylpyrrolidin-2-one is COc1cncc(CC2CC(=O)N(c3ccccc3)C2)c1.
What is the InChIKey of 4-[(5-methoxy-3-pyridinyl)methyl]-1-phenylpyrrolidin-2-one?
The InChIKey is CZAGEHBGALJKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-21-16-8-13(10-18-11-16)7-14-9-17(20)19(12-14)15-5-3-2-4-6-15/h2-6,8,10-11,14H,7,9,12H2,1H3.
What are the key properties of 4-[(5-methoxy-3-pyridinyl)methyl]-1-phenylpyrrolidin-2-one?
4-[(5-methoxy-3-pyridinyl)methyl]-1-phenylpyrrolidin-2-one has a molecular weight of 282.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methoxy-3-pyridinyl)methyl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 91772946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).