3-[6-[1-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]acetyl]pyrrolidin-2-yl]-3-pyridinyl]benzamide

C24H28N4O4 — CID 110263783

IUPAC3-[6-[1-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]acetyl]pyrrolidin-2-yl]-3-pyridinyl]benzamide
SMILESNC(=O)c1cccc(-c2ccc(C3CCCN3C(=O)COCCN3CCCC3=O)nc2)c1
InChIInChI=1S/C24H28N4O4/c25-24(31)18-5-1-4-17(14-18)19-8-9-20(26-15-19)21-6-2-11-28(21)23(30)16-32-13-12-27-10-3-7-22(27)29/h1,4-5,8-9,14-15,21H,2-3,6-7,10-13,16H2,(H2,25,31)
InChIKeyDAFGAWZBLREJKJ-UHFFFAOYSA-N
MW436.51 g/mol
LogP2.15
Rot. Bonds8

About 3-[6-[1-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]acetyl]pyrrolidin-2-yl]-3-pyridinyl]benzamide

3-[6-[1-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]acetyl]pyrrolidin-2-yl]-3-pyridinyl]benzamide (PubChem CID 110263783) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 3-[6-[1-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]acetyl]pyrrolidin-2-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[6-[1-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]acetyl]pyrrolidin-2-yl]-3-pyridinyl]benzamide
PubChem CID110263783
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name3-[6-[1-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]acetyl]pyrrolidin-2-yl]-3-pyridinyl]benzamide
SMILESNC(=O)c1cccc(-c2ccc(C3CCCN3C(=O)COCCN3CCCC3=O)nc2)c1
InChIInChI=1S/C24H28N4O4/c25-24(31)18-5-1-4-17(14-18)19-8-9-20(26-15-19)21-6-2-11-28(21)23(30)16-32-13-12-27-10-3-7-22(27)29/h1,4-5,8-9,14-15,21H,2-3,6-7,10-13,16H2,(H2,25,31)
InChIKeyDAFGAWZBLREJKJ-UHFFFAOYSA-N
XLogP2.15
TPSA105.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[6-[(2R)-1-methylpyrrolidin-2-yl]-3-pyridinyl]benzamide
CID 95813262
3-[6-[(2S)-1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-2-yl]-3-pyridinyl]benzamide
CID 92617018
1-[2-[2-[(3R)-3-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]piperidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
CID 92615927
3-[6-[1-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]piperidin-4-yl]-3-pyridinyl]benzamide
CID 92615475
3-[6-[1-(2-methoxyacetyl)pyrrolidin-2-yl]pyrazin-2-yl]benzoic acid
CID 110120276
3-[6-[1-[(2R)-2-(4-fluorophenoxy)propanoyl]piperidin-4-yl]-3-pyridinyl]benzamide
CID 92615480
3-[6-[1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidin-4-yl]-3-pyridinyl]benzamide
CID 92615481
1-[2-[2-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
CID 110239856
1-[2-[2-[(2S)-2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
CID 92570369
3-[6-[1-(pyridine-2-carbonyl)piperidin-3-yl]-3-pyridinyl]benzamide
CID 110263833
1-[2-[2-[(3R)-3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
CID 95834632
3-[6-[(3R)-1-[(4-methoxy-2,3,6-trimethylphenyl)methyl]piperidin-3-yl]-3-pyridinyl]benzamide
CID 125005203

Frequently Asked Questions

What is the IUPAC name of 3-[6-[1-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]acetyl]pyrrolidin-2-yl]-3-pyridinyl]benzamide?
The IUPAC name of 3-[6-[1-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]acetyl]pyrrolidin-2-yl]-3-pyridinyl]benzamide (CID 110263783) is 3-[6-[1-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]acetyl]pyrrolidin-2-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for 3-[6-[1-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]acetyl]pyrrolidin-2-yl]-3-pyridinyl]benzamide?
The canonical SMILES for 3-[6-[1-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]acetyl]pyrrolidin-2-yl]-3-pyridinyl]benzamide is NC(=O)c1cccc(-c2ccc(C3CCCN3C(=O)COCCN3CCCC3=O)nc2)c1.
What is the InChIKey of 3-[6-[1-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]acetyl]pyrrolidin-2-yl]-3-pyridinyl]benzamide?
The InChIKey is DAFGAWZBLREJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c25-24(31)18-5-1-4-17(14-18)19-8-9-20(26-15-19)21-6-2-11-28(21)23(30)16-32-13-12-27-10-3-7-22(27)29/h1,4-5,8-9,14-15,21H,2-3,6-7,10-13,16H2,(H2,25,31).
What are the key properties of 3-[6-[1-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]acetyl]pyrrolidin-2-yl]-3-pyridinyl]benzamide?
3-[6-[1-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]acetyl]pyrrolidin-2-yl]-3-pyridinyl]benzamide has a molecular weight of 436.51 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[1-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]acetyl]pyrrolidin-2-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 110263783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).