5-pyridin-3-yl-2-(3-pyridin-2-yloxypyrrolidin-1-yl)benzamide

C21H20N4O2 — CID 166683152

IUPAC5-pyridin-3-yl-2-(3-pyridin-2-yloxypyrrolidin-1-yl)benzamide
SMILESNC(=O)c1cc(-c2cccnc2)ccc1N1CCC(Oc2ccccn2)C1
InChIInChI=1S/C21H20N4O2/c22-21(26)18-12-15(16-4-3-9-23-13-16)6-7-19(18)25-11-8-17(14-25)27-20-5-1-2-10-24-20/h1-7,9-10,12-13,17H,8,11,14H2,(H2,22,26)
InChIKeyIHTDEBPUOQQWKY-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.90
Rot. Bonds5

About 5-pyridin-3-yl-2-(3-pyridin-2-yloxypyrrolidin-1-yl)benzamide

5-pyridin-3-yl-2-(3-pyridin-2-yloxypyrrolidin-1-yl)benzamide (PubChem CID 166683152) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 5-pyridin-3-yl-2-(3-pyridin-2-yloxypyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name5-pyridin-3-yl-2-(3-pyridin-2-yloxypyrrolidin-1-yl)benzamide
PubChem CID166683152
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name5-pyridin-3-yl-2-(3-pyridin-2-yloxypyrrolidin-1-yl)benzamide
SMILESNC(=O)c1cc(-c2cccnc2)ccc1N1CCC(Oc2ccccn2)C1
InChIInChI=1S/C21H20N4O2/c22-21(26)18-12-15(16-4-3-9-23-13-16)6-7-19(18)25-11-8-17(14-25)27-20-5-1-2-10-24-20/h1-7,9-10,12-13,17H,8,11,14H2,(H2,22,26)
InChIKeyIHTDEBPUOQQWKY-UHFFFAOYSA-N
XLogP2.90
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-2-(3-pyridin-2-yloxypyrrolidin-1-yl)benzamide?
The IUPAC name of 5-pyridin-3-yl-2-(3-pyridin-2-yloxypyrrolidin-1-yl)benzamide (CID 166683152) is 5-pyridin-3-yl-2-(3-pyridin-2-yloxypyrrolidin-1-yl)benzamide.
What is the SMILES notation for 5-pyridin-3-yl-2-(3-pyridin-2-yloxypyrrolidin-1-yl)benzamide?
The canonical SMILES for 5-pyridin-3-yl-2-(3-pyridin-2-yloxypyrrolidin-1-yl)benzamide is NC(=O)c1cc(-c2cccnc2)ccc1N1CCC(Oc2ccccn2)C1.
What is the InChIKey of 5-pyridin-3-yl-2-(3-pyridin-2-yloxypyrrolidin-1-yl)benzamide?
The InChIKey is IHTDEBPUOQQWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c22-21(26)18-12-15(16-4-3-9-23-13-16)6-7-19(18)25-11-8-17(14-25)27-20-5-1-2-10-24-20/h1-7,9-10,12-13,17H,8,11,14H2,(H2,22,26).
What are the key properties of 5-pyridin-3-yl-2-(3-pyridin-2-yloxypyrrolidin-1-yl)benzamide?
5-pyridin-3-yl-2-(3-pyridin-2-yloxypyrrolidin-1-yl)benzamide has a molecular weight of 360.42 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-2-(3-pyridin-2-yloxypyrrolidin-1-yl)benzamide is sourced from PubChem (CID 166683152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).