4-[2-oxo-2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)amino]ethoxy]benzamide

C20H24N4O3 — CID 166229786

IUPAC4-[2-oxo-2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)amino]ethoxy]benzamide
SMILESNC(=O)c1ccc(OCC(=O)NCC(c2cccnc2)N2CCCC2)cc1
InChIInChI=1S/C20H24N4O3/c21-20(26)15-5-7-17(8-6-15)27-14-19(25)23-13-18(24-10-1-2-11-24)16-4-3-9-22-12-16/h3-9,12,18H,1-2,10-11,13-14H2,(H2,21,26)(H,23,25)
InChIKeyVGFNVOJAAPBWGR-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.51
Rot. Bonds8

About 4-[2-oxo-2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)amino]ethoxy]benzamide

4-[2-oxo-2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)amino]ethoxy]benzamide (PubChem CID 166229786) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-[2-oxo-2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)amino]ethoxy]benzamide.

Molecular Properties

Compound Name4-[2-oxo-2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)amino]ethoxy]benzamide
PubChem CID166229786
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name4-[2-oxo-2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)amino]ethoxy]benzamide
SMILESNC(=O)c1ccc(OCC(=O)NCC(c2cccnc2)N2CCCC2)cc1
InChIInChI=1S/C20H24N4O3/c21-20(26)15-5-7-17(8-6-15)27-14-19(25)23-13-18(24-10-1-2-11-24)16-4-3-9-22-12-16/h3-9,12,18H,1-2,10-11,13-14H2,(H2,21,26)(H,23,25)
InChIKeyVGFNVOJAAPBWGR-UHFFFAOYSA-N
XLogP1.51
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide
CID 166227053
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
CID 27771479
2-(4-bromophenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 8799067
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
CID 35181296
N-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110621715
2-(4-tert-butylphenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 35579383
N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide
CID 35126659
3,3-dicyclopropyl-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]propanamide
CID 97237164
N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenoxyacetamide
CID 17012003
2-(4-bromophenoxy)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 43003277
N-[(2R)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 97187717
2-(4-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide
CID 17013722

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)amino]ethoxy]benzamide?
The IUPAC name of 4-[2-oxo-2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)amino]ethoxy]benzamide (CID 166229786) is 4-[2-oxo-2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)amino]ethoxy]benzamide.
What is the SMILES notation for 4-[2-oxo-2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)amino]ethoxy]benzamide?
The canonical SMILES for 4-[2-oxo-2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)amino]ethoxy]benzamide is NC(=O)c1ccc(OCC(=O)NCC(c2cccnc2)N2CCCC2)cc1.
What is the InChIKey of 4-[2-oxo-2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)amino]ethoxy]benzamide?
The InChIKey is VGFNVOJAAPBWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c21-20(26)15-5-7-17(8-6-15)27-14-19(25)23-13-18(24-10-1-2-11-24)16-4-3-9-22-12-16/h3-9,12,18H,1-2,10-11,13-14H2,(H2,21,26)(H,23,25).
What are the key properties of 4-[2-oxo-2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)amino]ethoxy]benzamide?
4-[2-oxo-2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)amino]ethoxy]benzamide has a molecular weight of 368.44 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)amino]ethoxy]benzamide is sourced from PubChem (CID 166229786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).