[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone

C18H20N2O2 — CID 166615057

IUPAC[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone
SMILESCc1cncc(C(=O)N2CCC(Cc3cccc(O)c3)C2)c1
InChIInChI=1S/C18H20N2O2/c1-13-7-16(11-19-10-13)18(22)20-6-5-15(12-20)8-14-3-2-4-17(21)9-14/h2-4,7,9-11,15,21H,5-6,8,12H2,1H3
InChIKeyGEQWCRCJUCIRMZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.80
Rot. Bonds3

About [3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone

[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone (PubChem CID 166615057) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is [3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone
PubChem CID166615057
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone
SMILESCc1cncc(C(=O)N2CCC(Cc3cccc(O)c3)C2)c1
InChIInChI=1S/C18H20N2O2/c1-13-7-16(11-19-10-13)18(22)20-6-5-15(12-20)8-14-3-2-4-17(21)9-14/h2-4,7,9-11,15,21H,5-6,8,12H2,1H3
InChIKeyGEQWCRCJUCIRMZ-UHFFFAOYSA-N
XLogP2.80
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
CID 176504679
[3-(2-aminoethyl)pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 114802166
[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[3-[(4-methylphenyl)methylamino]phenyl]methanone
CID 166614914
[(3R,4R)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 124794762
[(3S,4R)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 97422435
[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 166613031
[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 166614439
[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 166622260
(4-amino-3-ethylpiperidin-1-yl)-(5-methyl-3-pyridinyl)methanone
CID 81458199
1-[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-2-piperidin-1-ylethanone
CID 166623031
(2,5-dimethylphenyl)-[(3S)-3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 97207529
pyridin-3-yl-[3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone
CID 110258714

Frequently Asked Questions

What is the IUPAC name of [3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone?
The IUPAC name of [3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone (CID 166615057) is [3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone?
The canonical SMILES for [3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone is Cc1cncc(C(=O)N2CCC(Cc3cccc(O)c3)C2)c1.
What is the InChIKey of [3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone?
The InChIKey is GEQWCRCJUCIRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13-7-16(11-19-10-13)18(22)20-6-5-15(12-20)8-14-3-2-4-17(21)9-14/h2-4,7,9-11,15,21H,5-6,8,12H2,1H3.
What are the key properties of [3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone?
[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone has a molecular weight of 296.37 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 166615057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).