[2-(2-methoxy-5-methylphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone

C18H20N2O2 — CID 74249651

IUPAC[2-(2-methoxy-5-methylphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(C)cc1-c1ncccc1C(=O)N1CCCC1
InChIInChI=1S/C18H20N2O2/c1-13-7-8-16(22-2)15(12-13)17-14(6-5-9-19-17)18(21)20-10-3-4-11-20/h5-9,12H,3-4,10-11H2,1-2H3
InChIKeyMEKROAJQZDSKJD-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.30
Rot. Bonds3

About [2-(2-methoxy-5-methylphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone

[2-(2-methoxy-5-methylphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 74249651) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is [2-(2-methoxy-5-methylphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(2-methoxy-5-methylphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID74249651
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name[2-(2-methoxy-5-methylphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(C)cc1-c1ncccc1C(=O)N1CCCC1
InChIInChI=1S/C18H20N2O2/c1-13-7-8-16(22-2)15(12-13)17-14(6-5-9-19-17)18(21)20-10-3-4-11-20/h5-9,12H,3-4,10-11H2,1-2H3
InChIKeyMEKROAJQZDSKJD-UHFFFAOYSA-N
XLogP3.30
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 74242509
[2-(6-methoxy-1,3-benzodioxol-5-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 162638191
[2-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 74230165
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 110814937
[2-(3,4-dimethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 1431769
[2-[2-(2-methylpropoxy)phenyl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 74244180
[2-(4-methylphenoxy)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 101054143
azepan-1-yl-[1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidin-4-yl]methanone
CID 46390269
(2-fluorophenyl)-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 33466313
1,4-diazepan-1-yl-(2-methoxy-5-methylphenyl)methanone
CID 62504199
[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 56884668
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 31363177

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-5-methylphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(2-methoxy-5-methylphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 74249651) is [2-(2-methoxy-5-methylphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(2-methoxy-5-methylphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(2-methoxy-5-methylphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone is COc1ccc(C)cc1-c1ncccc1C(=O)N1CCCC1.
What is the InChIKey of [2-(2-methoxy-5-methylphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is MEKROAJQZDSKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13-7-8-16(22-2)15(12-13)17-14(6-5-9-19-17)18(21)20-10-3-4-11-20/h5-9,12H,3-4,10-11H2,1-2H3.
What are the key properties of [2-(2-methoxy-5-methylphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[2-(2-methoxy-5-methylphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 296.37 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-5-methylphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 74249651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).