[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone

C17H18N2O2 — CID 42934876

IUPAC[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESCOc1cccc(C2CCCN2C(=O)c2ccncc2)c1
InChIInChI=1S/C17H18N2O2/c1-21-15-5-2-4-14(12-15)16-6-3-11-19(16)17(20)13-7-9-18-10-8-13/h2,4-5,7-10,12,16H,3,6,11H2,1H3
InChIKeyPNAUTWGPMKFZOA-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.07
Rot. Bonds3

About [2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone

[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 42934876) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is [2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
PubChem CID42934876
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESCOc1cccc(C2CCCN2C(=O)c2ccncc2)c1
InChIInChI=1S/C17H18N2O2/c1-21-15-5-2-4-14(12-15)16-6-3-11-19(16)17(20)13-7-9-18-10-8-13/h2,4-5,7-10,12,16H,3,6,11H2,1H3
InChIKeyPNAUTWGPMKFZOA-UHFFFAOYSA-N
XLogP3.07
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzoate
CID 51318465
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 46700033
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-(1-pyridin-4-ylpyrazol-3-yl)methanone
CID 166233083
(3,5-dimethoxyphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867000
[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone
CID 96580017
(2-methoxyphenyl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 78834014
N-methoxy-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 46699988
[2-(4-chlorophenyl)pyrimidin-5-yl]-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 92614062
(2-iodophenyl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 51929591
furan-2-yl-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 60716835
tert-butyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate
CID 15189984

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone (CID 42934876) is [2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone is COc1cccc(C2CCCN2C(=O)c2ccncc2)c1.
What is the InChIKey of [2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is PNAUTWGPMKFZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-21-15-5-2-4-14(12-15)16-6-3-11-19(16)17(20)13-7-9-18-10-8-13/h2,4-5,7-10,12,16H,3,6,11H2,1H3.
What are the key properties of [2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone?
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 282.34 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 42934876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).