6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-ethylpyridine-3-carboxamide

C20H25N3O3 — CID 133345289

IUPAC6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-ethylpyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(N2CCCC2c2ccc(OC)cc2OC)nc1
InChIInChI=1S/C20H25N3O3/c1-4-21-20(24)14-7-10-19(22-13-14)23-11-5-6-17(23)16-9-8-15(25-2)12-18(16)26-3/h7-10,12-13,17H,4-6,11H2,1-3H3,(H,21,24)
InChIKeyOWHMDZCPFOOTCO-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.19
Rot. Bonds6

About 6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-ethylpyridine-3-carboxamide

6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-ethylpyridine-3-carboxamide (PubChem CID 133345289) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-ethylpyridine-3-carboxamide
PubChem CID133345289
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-ethylpyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(N2CCCC2c2ccc(OC)cc2OC)nc1
InChIInChI=1S/C20H25N3O3/c1-4-21-20(24)14-7-10-19(22-13-14)23-11-5-6-17(23)16-9-8-15(25-2)12-18(16)26-3/h7-10,12-13,17H,4-6,11H2,1-3H3,(H,21,24)
InChIKeyOWHMDZCPFOOTCO-UHFFFAOYSA-N
XLogP3.19
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 129481990
[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 27034302
6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133333545
(3,4-dimethoxyphenyl)-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 46636697
methyl N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]carbamate
CID 8856176
2-[[2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]acetamide
CID 8857011
2-[[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]acetamide
CID 8857019
2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 8853855
2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-5-nitropyridine
CID 16796297
N'-[2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]benzohydrazide
CID 8854676
(2S)-2-(2,4-dimethoxyphenyl)-1-ethylpyrrolidine
CID 94709986
4-chloro-6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-methylpyrimidine
CID 51131874

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-ethylpyridine-3-carboxamide?
The IUPAC name of 6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-ethylpyridine-3-carboxamide (CID 133345289) is 6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-ethylpyridine-3-carboxamide?
The canonical SMILES for 6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-ethylpyridine-3-carboxamide is CCNC(=O)c1ccc(N2CCCC2c2ccc(OC)cc2OC)nc1.
What is the InChIKey of 6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-ethylpyridine-3-carboxamide?
The InChIKey is OWHMDZCPFOOTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-4-21-20(24)14-7-10-19(22-13-14)23-11-5-6-17(23)16-9-8-15(25-2)12-18(16)26-3/h7-10,12-13,17H,4-6,11H2,1-3H3,(H,21,24).
What are the key properties of 6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-ethylpyridine-3-carboxamide?
6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-ethylpyridine-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 133345289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).