(3,5-dimethoxyphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone

C18H20N2O3 — CID 110867000

IUPAC(3,5-dimethoxyphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCCC2c2cccnc2)c1
InChIInChI=1S/C18H20N2O3/c1-22-15-9-14(10-16(11-15)23-2)18(21)20-8-4-6-17(20)13-5-3-7-19-12-13/h3,5,7,9-12,17H,4,6,8H2,1-2H3
InChIKeyJRJIBMZNSXCIQM-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.08
Rot. Bonds4

About (3,5-dimethoxyphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone

(3,5-dimethoxyphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone (PubChem CID 110867000) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
PubChem CID110867000
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name(3,5-dimethoxyphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCCC2c2cccnc2)c1
InChIInChI=1S/C18H20N2O3/c1-22-15-9-14(10-16(11-15)23-2)18(21)20-8-4-6-17(20)13-5-3-7-19-12-13/h3,5,7,9-12,17H,4,6,8H2,1-2H3
InChIKeyJRJIBMZNSXCIQM-UHFFFAOYSA-N
XLogP3.08
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3,5-dimethoxyphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 97207892
3,5-dimethoxy-N-(2-pyridin-3-ylpiperidine-1-carbothioyl)benzamide
CID 3808385
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 42934876
(3,4-dichlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867001
(3-iodophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 60697684
(6-methoxy-1H-indol-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 7070196
[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 97145858
[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 97145859
(2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110871555
[4-(aminomethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 43575796
[4-(chloromethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 43578920
[2-(aminomethyl)-4-pyridinyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 114325684

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (3,5-dimethoxyphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone (CID 110867000) is (3,5-dimethoxyphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3,5-dimethoxyphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3,5-dimethoxyphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone is COc1cc(OC)cc(C(=O)N2CCCC2c2cccnc2)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is JRJIBMZNSXCIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-22-15-9-14(10-16(11-15)23-2)18(21)20-8-4-6-17(20)13-5-3-7-19-12-13/h3,5,7,9-12,17H,4,6,8H2,1-2H3.
What are the key properties of (3,5-dimethoxyphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
(3,5-dimethoxyphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 312.37 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 110867000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).