2-(3,4-dimethylcyclohexyl)oxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C17H22N2O — CID 64746934

IUPAC2-(3,4-dimethylcyclohexyl)oxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCC1CCC(Oc2nc3c(cc2C#N)CCC3)CC1C
InChIInChI=1S/C17H22N2O/c1-11-6-7-15(8-12(11)2)20-17-14(10-18)9-13-4-3-5-16(13)19-17/h9,11-12,15H,3-8H2,1-2H3
InChIKeyQVTYBSAGTLNODA-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.65
Rot. Bonds2

About 2-(3,4-dimethylcyclohexyl)oxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-(3,4-dimethylcyclohexyl)oxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 64746934) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(3,4-dimethylcyclohexyl)oxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3,4-dimethylcyclohexyl)oxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID64746934
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-(3,4-dimethylcyclohexyl)oxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCC1CCC(Oc2nc3c(cc2C#N)CCC3)CC1C
InChIInChI=1S/C17H22N2O/c1-11-6-7-15(8-12(11)2)20-17-14(10-18)9-13-4-3-5-16(13)19-17/h9,11-12,15H,3-8H2,1-2H3
InChIKeyQVTYBSAGTLNODA-UHFFFAOYSA-N
XLogP3.65
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylcyclohexyl)oxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-(3,4-dimethylcyclohexyl)oxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 64746934) is 2-(3,4-dimethylcyclohexyl)oxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(3,4-dimethylcyclohexyl)oxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-(3,4-dimethylcyclohexyl)oxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is CC1CCC(Oc2nc3c(cc2C#N)CCC3)CC1C.
What is the InChIKey of 2-(3,4-dimethylcyclohexyl)oxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is QVTYBSAGTLNODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-11-6-7-15(8-12(11)2)20-17-14(10-18)9-13-4-3-5-16(13)19-17/h9,11-12,15H,3-8H2,1-2H3.
What are the key properties of 2-(3,4-dimethylcyclohexyl)oxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-(3,4-dimethylcyclohexyl)oxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 270.38 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylcyclohexyl)oxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 64746934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).