6-[(1-cycloheptyl-4,4-dimethyl-5-oxopyrrolidin-3-yl)methoxy]pyridine-3-carbonitrile

C20H27N3O2 — CID 24889741

IUPAC6-[(1-cycloheptyl-4,4-dimethyl-5-oxopyrrolidin-3-yl)methoxy]pyridine-3-carbonitrile
SMILESCC1(C)C(=O)N(C2CCCCCC2)CC1COc1ccc(C#N)cn1
InChIInChI=1S/C20H27N3O2/c1-20(2)16(14-25-18-10-9-15(11-21)12-22-18)13-23(19(20)24)17-7-5-3-4-6-8-17/h9-10,12,16-17H,3-8,13-14H2,1-2H3
InChIKeyIIOIWTHGGFXVPM-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.54
Rot. Bonds4

About 6-[(1-cycloheptyl-4,4-dimethyl-5-oxopyrrolidin-3-yl)methoxy]pyridine-3-carbonitrile

6-[(1-cycloheptyl-4,4-dimethyl-5-oxopyrrolidin-3-yl)methoxy]pyridine-3-carbonitrile (PubChem CID 24889741) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 6-[(1-cycloheptyl-4,4-dimethyl-5-oxopyrrolidin-3-yl)methoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(1-cycloheptyl-4,4-dimethyl-5-oxopyrrolidin-3-yl)methoxy]pyridine-3-carbonitrile
PubChem CID24889741
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name6-[(1-cycloheptyl-4,4-dimethyl-5-oxopyrrolidin-3-yl)methoxy]pyridine-3-carbonitrile
SMILESCC1(C)C(=O)N(C2CCCCCC2)CC1COc1ccc(C#N)cn1
InChIInChI=1S/C20H27N3O2/c1-20(2)16(14-25-18-10-9-15(11-21)12-22-18)13-23(19(20)24)17-7-5-3-4-6-8-17/h9-10,12,16-17H,3-8,13-14H2,1-2H3
InChIKeyIIOIWTHGGFXVPM-UHFFFAOYSA-N
XLogP3.54
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[(1-cycloheptyl-4,4-dimethyl-5-oxopyrrolidin-3-yl)methoxy]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(1-cycloheptyl-4,4-dimethyl-5-oxopyrrolidin-3-yl)methoxy]pyridine-3-carbonitrile?
The IUPAC name of 6-[(1-cycloheptyl-4,4-dimethyl-5-oxopyrrolidin-3-yl)methoxy]pyridine-3-carbonitrile (CID 24889741) is 6-[(1-cycloheptyl-4,4-dimethyl-5-oxopyrrolidin-3-yl)methoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(1-cycloheptyl-4,4-dimethyl-5-oxopyrrolidin-3-yl)methoxy]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(1-cycloheptyl-4,4-dimethyl-5-oxopyrrolidin-3-yl)methoxy]pyridine-3-carbonitrile is CC1(C)C(=O)N(C2CCCCCC2)CC1COc1ccc(C#N)cn1.
What is the InChIKey of 6-[(1-cycloheptyl-4,4-dimethyl-5-oxopyrrolidin-3-yl)methoxy]pyridine-3-carbonitrile?
The InChIKey is IIOIWTHGGFXVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-20(2)16(14-25-18-10-9-15(11-21)12-22-18)13-23(19(20)24)17-7-5-3-4-6-8-17/h9-10,12,16-17H,3-8,13-14H2,1-2H3.
What are the key properties of 6-[(1-cycloheptyl-4,4-dimethyl-5-oxopyrrolidin-3-yl)methoxy]pyridine-3-carbonitrile?
6-[(1-cycloheptyl-4,4-dimethyl-5-oxopyrrolidin-3-yl)methoxy]pyridine-3-carbonitrile has a molecular weight of 341.46 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-cycloheptyl-4,4-dimethyl-5-oxopyrrolidin-3-yl)methoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 24889741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).