2-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-pyridin-2-ylbenzamide

C21H19ClN4O2 — CID 156814337

IUPAC2-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-pyridin-2-ylbenzamide
SMILESNC(=O)c1cc(-c2ccccn2)ccc1N1CCC(Oc2ncccc2Cl)C1
InChIInChI=1S/C21H19ClN4O2/c22-17-4-3-10-25-21(17)28-15-8-11-26(13-15)19-7-6-14(12-16(19)20(23)27)18-5-1-2-9-24-18/h1-7,9-10,12,15H,8,11,13H2,(H2,23,27)
InChIKeyRXQCNIMGQBHVBK-UHFFFAOYSA-N
MW394.86 g/mol
LogP3.55
Rot. Bonds5

About 2-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-pyridin-2-ylbenzamide

2-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-pyridin-2-ylbenzamide (PubChem CID 156814337) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is 2-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name2-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-pyridin-2-ylbenzamide
PubChem CID156814337
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name2-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-pyridin-2-ylbenzamide
SMILESNC(=O)c1cc(-c2ccccn2)ccc1N1CCC(Oc2ncccc2Cl)C1
InChIInChI=1S/C21H19ClN4O2/c22-17-4-3-10-25-21(17)28-15-8-11-26(13-15)19-7-6-14(12-16(19)20(23)27)18-5-1-2-9-24-18/h1-7,9-10,12,15H,8,11,13H2,(H2,23,27)
InChIKeyRXQCNIMGQBHVBK-UHFFFAOYSA-N
XLogP3.55
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-pyridin-2-ylbenzamide?
The IUPAC name of 2-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-pyridin-2-ylbenzamide (CID 156814337) is 2-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-pyridin-2-ylbenzamide.
What is the SMILES notation for 2-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-pyridin-2-ylbenzamide?
The canonical SMILES for 2-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-pyridin-2-ylbenzamide is NC(=O)c1cc(-c2ccccn2)ccc1N1CCC(Oc2ncccc2Cl)C1.
What is the InChIKey of 2-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-pyridin-2-ylbenzamide?
The InChIKey is RXQCNIMGQBHVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c22-17-4-3-10-25-21(17)28-15-8-11-26(13-15)19-7-6-14(12-16(19)20(23)27)18-5-1-2-9-24-18/h1-7,9-10,12,15H,8,11,13H2,(H2,23,27).
What are the key properties of 2-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-pyridin-2-ylbenzamide?
2-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-pyridin-2-ylbenzamide has a molecular weight of 394.86 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-pyridin-2-ylbenzamide is sourced from PubChem (CID 156814337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).