2-phenyl-1,1-dipyridin-3-yl-2-pyrrolidin-1-ylethanol

C22H23N3O — CID 11573765

IUPAC2-phenyl-1,1-dipyridin-3-yl-2-pyrrolidin-1-ylethanol
SMILESOC(c1cccnc1)(c1cccnc1)C(c1ccccc1)N1CCCC1
InChIInChI=1S/C22H23N3O/c26-22(19-10-6-12-23-16-19,20-11-7-13-24-17-20)21(25-14-4-5-15-25)18-8-2-1-3-9-18/h1-3,6-13,16-17,21,26H,4-5,14-15H2
InChIKeyKVQINTYARDHBBP-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.55
Rot. Bonds5

About 2-phenyl-1,1-dipyridin-3-yl-2-pyrrolidin-1-ylethanol

2-phenyl-1,1-dipyridin-3-yl-2-pyrrolidin-1-ylethanol (PubChem CID 11573765) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-phenyl-1,1-dipyridin-3-yl-2-pyrrolidin-1-ylethanol.

Molecular Properties

Compound Name2-phenyl-1,1-dipyridin-3-yl-2-pyrrolidin-1-ylethanol
PubChem CID11573765
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name2-phenyl-1,1-dipyridin-3-yl-2-pyrrolidin-1-ylethanol
SMILESOC(c1cccnc1)(c1cccnc1)C(c1ccccc1)N1CCCC1
InChIInChI=1S/C22H23N3O/c26-22(19-10-6-12-23-16-19,20-11-7-13-24-17-20)21(25-14-4-5-15-25)18-8-2-1-3-9-18/h1-3,6-13,16-17,21,26H,4-5,14-15H2
InChIKeyKVQINTYARDHBBP-UHFFFAOYSA-N
XLogP3.55
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,1-dipyridin-3-yl-2-pyrrolidin-1-ylethanol?
The IUPAC name of 2-phenyl-1,1-dipyridin-3-yl-2-pyrrolidin-1-ylethanol (CID 11573765) is 2-phenyl-1,1-dipyridin-3-yl-2-pyrrolidin-1-ylethanol.
What is the SMILES notation for 2-phenyl-1,1-dipyridin-3-yl-2-pyrrolidin-1-ylethanol?
The canonical SMILES for 2-phenyl-1,1-dipyridin-3-yl-2-pyrrolidin-1-ylethanol is OC(c1cccnc1)(c1cccnc1)C(c1ccccc1)N1CCCC1.
What is the InChIKey of 2-phenyl-1,1-dipyridin-3-yl-2-pyrrolidin-1-ylethanol?
The InChIKey is KVQINTYARDHBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c26-22(19-10-6-12-23-16-19,20-11-7-13-24-17-20)21(25-14-4-5-15-25)18-8-2-1-3-9-18/h1-3,6-13,16-17,21,26H,4-5,14-15H2.
What are the key properties of 2-phenyl-1,1-dipyridin-3-yl-2-pyrrolidin-1-ylethanol?
2-phenyl-1,1-dipyridin-3-yl-2-pyrrolidin-1-ylethanol has a molecular weight of 345.45 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,1-dipyridin-3-yl-2-pyrrolidin-1-ylethanol is sourced from PubChem (CID 11573765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).