2-[[1-(2-cyclopentylacetyl)-4-pyridin-2-ylpyrrolidin-3-yl]methoxy]-N-methylacetamide

C20H29N3O3 — CID 156611551

IUPAC2-[[1-(2-cyclopentylacetyl)-4-pyridin-2-ylpyrrolidin-3-yl]methoxy]-N-methylacetamide
SMILESCNC(=O)COCC1CN(C(=O)CC2CCCC2)CC1c1ccccn1
InChIInChI=1S/C20H29N3O3/c1-21-19(24)14-26-13-16-11-23(20(25)10-15-6-2-3-7-15)12-17(16)18-8-4-5-9-22-18/h4-5,8-9,15-17H,2-3,6-7,10-14H2,1H3,(H,21,24)
InChIKeyVPMFYSQIIZTQTQ-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.97
Rot. Bonds7

About 2-[[1-(2-cyclopentylacetyl)-4-pyridin-2-ylpyrrolidin-3-yl]methoxy]-N-methylacetamide

2-[[1-(2-cyclopentylacetyl)-4-pyridin-2-ylpyrrolidin-3-yl]methoxy]-N-methylacetamide (PubChem CID 156611551) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-[[1-(2-cyclopentylacetyl)-4-pyridin-2-ylpyrrolidin-3-yl]methoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[[1-(2-cyclopentylacetyl)-4-pyridin-2-ylpyrrolidin-3-yl]methoxy]-N-methylacetamide
PubChem CID156611551
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name2-[[1-(2-cyclopentylacetyl)-4-pyridin-2-ylpyrrolidin-3-yl]methoxy]-N-methylacetamide
SMILESCNC(=O)COCC1CN(C(=O)CC2CCCC2)CC1c1ccccn1
InChIInChI=1S/C20H29N3O3/c1-21-19(24)14-26-13-16-11-23(20(25)10-15-6-2-3-7-15)12-17(16)18-8-4-5-9-22-18/h4-5,8-9,15-17H,2-3,6-7,10-14H2,1H3,(H,21,24)
InChIKeyVPMFYSQIIZTQTQ-UHFFFAOYSA-N
XLogP1.97
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-cyclopentylacetyl)-4-pyridin-2-ylpyrrolidin-3-yl]methoxy]-N-methylacetamide?
The IUPAC name of 2-[[1-(2-cyclopentylacetyl)-4-pyridin-2-ylpyrrolidin-3-yl]methoxy]-N-methylacetamide (CID 156611551) is 2-[[1-(2-cyclopentylacetyl)-4-pyridin-2-ylpyrrolidin-3-yl]methoxy]-N-methylacetamide.
What is the SMILES notation for 2-[[1-(2-cyclopentylacetyl)-4-pyridin-2-ylpyrrolidin-3-yl]methoxy]-N-methylacetamide?
The canonical SMILES for 2-[[1-(2-cyclopentylacetyl)-4-pyridin-2-ylpyrrolidin-3-yl]methoxy]-N-methylacetamide is CNC(=O)COCC1CN(C(=O)CC2CCCC2)CC1c1ccccn1.
What is the InChIKey of 2-[[1-(2-cyclopentylacetyl)-4-pyridin-2-ylpyrrolidin-3-yl]methoxy]-N-methylacetamide?
The InChIKey is VPMFYSQIIZTQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-21-19(24)14-26-13-16-11-23(20(25)10-15-6-2-3-7-15)12-17(16)18-8-4-5-9-22-18/h4-5,8-9,15-17H,2-3,6-7,10-14H2,1H3,(H,21,24).
What are the key properties of 2-[[1-(2-cyclopentylacetyl)-4-pyridin-2-ylpyrrolidin-3-yl]methoxy]-N-methylacetamide?
2-[[1-(2-cyclopentylacetyl)-4-pyridin-2-ylpyrrolidin-3-yl]methoxy]-N-methylacetamide has a molecular weight of 359.47 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-cyclopentylacetyl)-4-pyridin-2-ylpyrrolidin-3-yl]methoxy]-N-methylacetamide is sourced from PubChem (CID 156611551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).