5-pyridin-4-yl-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide

C21H20N4O2 — CID 166004473

IUPAC5-pyridin-4-yl-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide
SMILESNC(=O)c1cc(-c2ccncc2)ccc1N1CC[C@@H](Oc2ccccn2)C1
InChIInChI=1S/C21H20N4O2/c22-21(26)18-13-16(15-6-10-23-11-7-15)4-5-19(18)25-12-8-17(14-25)27-20-3-1-2-9-24-20/h1-7,9-11,13,17H,8,12,14H2,(H2,22,26)/t17-/m1/s1
InChIKeyIMEZCGLUHTYLQC-QGZVFWFLSA-N
MW360.42 g/mol
LogP2.90
Rot. Bonds5

About 5-pyridin-4-yl-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide

5-pyridin-4-yl-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide (PubChem CID 166004473) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 5-pyridin-4-yl-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide.

Molecular Properties

Compound Name5-pyridin-4-yl-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide
PubChem CID166004473
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name5-pyridin-4-yl-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide
SMILESNC(=O)c1cc(-c2ccncc2)ccc1N1CC[C@@H](Oc2ccccn2)C1
InChIInChI=1S/C21H20N4O2/c22-21(26)18-13-16(15-6-10-23-11-7-15)4-5-19(18)25-12-8-17(14-25)27-20-3-1-2-9-24-20/h1-7,9-11,13,17H,8,12,14H2,(H2,22,26)/t17-/m1/s1
InChIKeyIMEZCGLUHTYLQC-QGZVFWFLSA-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-4-yl-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide?
The IUPAC name of 5-pyridin-4-yl-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide (CID 166004473) is 5-pyridin-4-yl-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide.
What is the SMILES notation for 5-pyridin-4-yl-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide?
The canonical SMILES for 5-pyridin-4-yl-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide is NC(=O)c1cc(-c2ccncc2)ccc1N1CC[C@@H](Oc2ccccn2)C1.
What is the InChIKey of 5-pyridin-4-yl-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide?
The InChIKey is IMEZCGLUHTYLQC-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H20N4O2/c22-21(26)18-13-16(15-6-10-23-11-7-15)4-5-19(18)25-12-8-17(14-25)27-20-3-1-2-9-24-20/h1-7,9-11,13,17H,8,12,14H2,(H2,22,26)/t17-/m1/s1.
What are the key properties of 5-pyridin-4-yl-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide?
5-pyridin-4-yl-2-[(3R)-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-4-yl-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide is sourced from PubChem (CID 166004473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).