4-[2-(4-methylphenyl)-5-(pyrrolidin-3-ylmethoxy)-3-pyridinyl]benzonitrile

C24H23N3O — CID 129216206

IUPAC4-[2-(4-methylphenyl)-5-(pyrrolidin-3-ylmethoxy)-3-pyridinyl]benzonitrile
SMILESCc1ccc(-c2ncc(OCC3CCNC3)cc2-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C24H23N3O/c1-17-2-6-21(7-3-17)24-23(20-8-4-18(13-25)5-9-20)12-22(15-27-24)28-16-19-10-11-26-14-19/h2-9,12,15,19,26H,10-11,14,16H2,1H3
InChIKeyIQVDLEXWAPYWDT-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.58
Rot. Bonds5

About 4-[2-(4-methylphenyl)-5-(pyrrolidin-3-ylmethoxy)-3-pyridinyl]benzonitrile

4-[2-(4-methylphenyl)-5-(pyrrolidin-3-ylmethoxy)-3-pyridinyl]benzonitrile (PubChem CID 129216206) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-[2-(4-methylphenyl)-5-(pyrrolidin-3-ylmethoxy)-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[2-(4-methylphenyl)-5-(pyrrolidin-3-ylmethoxy)-3-pyridinyl]benzonitrile
PubChem CID129216206
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name4-[2-(4-methylphenyl)-5-(pyrrolidin-3-ylmethoxy)-3-pyridinyl]benzonitrile
SMILESCc1ccc(-c2ncc(OCC3CCNC3)cc2-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C24H23N3O/c1-17-2-6-21(7-3-17)24-23(20-8-4-18(13-25)5-9-20)12-22(15-27-24)28-16-19-10-11-26-14-19/h2-9,12,15,19,26H,10-11,14,16H2,1H3
InChIKeyIQVDLEXWAPYWDT-UHFFFAOYSA-N
XLogP4.58
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylphenyl)-5-(pyrrolidin-3-ylmethoxy)-3-pyridinyl]benzonitrile?
The IUPAC name of 4-[2-(4-methylphenyl)-5-(pyrrolidin-3-ylmethoxy)-3-pyridinyl]benzonitrile (CID 129216206) is 4-[2-(4-methylphenyl)-5-(pyrrolidin-3-ylmethoxy)-3-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[2-(4-methylphenyl)-5-(pyrrolidin-3-ylmethoxy)-3-pyridinyl]benzonitrile?
The canonical SMILES for 4-[2-(4-methylphenyl)-5-(pyrrolidin-3-ylmethoxy)-3-pyridinyl]benzonitrile is Cc1ccc(-c2ncc(OCC3CCNC3)cc2-c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[2-(4-methylphenyl)-5-(pyrrolidin-3-ylmethoxy)-3-pyridinyl]benzonitrile?
The InChIKey is IQVDLEXWAPYWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c1-17-2-6-21(7-3-17)24-23(20-8-4-18(13-25)5-9-20)12-22(15-27-24)28-16-19-10-11-26-14-19/h2-9,12,15,19,26H,10-11,14,16H2,1H3.
What are the key properties of 4-[2-(4-methylphenyl)-5-(pyrrolidin-3-ylmethoxy)-3-pyridinyl]benzonitrile?
4-[2-(4-methylphenyl)-5-(pyrrolidin-3-ylmethoxy)-3-pyridinyl]benzonitrile has a molecular weight of 369.47 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylphenyl)-5-(pyrrolidin-3-ylmethoxy)-3-pyridinyl]benzonitrile is sourced from PubChem (CID 129216206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).