5-(4-cyclobutylsulfanyl-3-pyridinyl)-2-methylindolizine-8-carbonitrile

C19H17N3S — CID 151228218

IUPAC5-(4-cyclobutylsulfanyl-3-pyridinyl)-2-methylindolizine-8-carbonitrile
SMILESCc1cc2c(C#N)ccc(-c3cnccc3SC3CCC3)n2c1
InChIInChI=1S/C19H17N3S/c1-13-9-18-14(10-20)5-6-17(22(18)12-13)16-11-21-8-7-19(16)23-15-3-2-4-15/h5-9,11-12,15H,2-4H2,1H3
InChIKeyNNSFSEMENPRJER-UHFFFAOYSA-N
MW319.43 g/mol
LogP4.83
Rot. Bonds3

About 5-(4-cyclobutylsulfanyl-3-pyridinyl)-2-methylindolizine-8-carbonitrile

5-(4-cyclobutylsulfanyl-3-pyridinyl)-2-methylindolizine-8-carbonitrile (PubChem CID 151228218) has the molecular formula C19H17N3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 5-(4-cyclobutylsulfanyl-3-pyridinyl)-2-methylindolizine-8-carbonitrile.

Molecular Properties

Compound Name5-(4-cyclobutylsulfanyl-3-pyridinyl)-2-methylindolizine-8-carbonitrile
PubChem CID151228218
Molecular FormulaC19H17N3S
Molecular Weight319.43 g/mol
Exact Mass319.11
IUPAC Name5-(4-cyclobutylsulfanyl-3-pyridinyl)-2-methylindolizine-8-carbonitrile
SMILESCc1cc2c(C#N)ccc(-c3cnccc3SC3CCC3)n2c1
InChIInChI=1S/C19H17N3S/c1-13-9-18-14(10-20)5-6-17(22(18)12-13)16-11-21-8-7-19(16)23-15-3-2-4-15/h5-9,11-12,15H,2-4H2,1H3
InChIKeyNNSFSEMENPRJER-UHFFFAOYSA-N
XLogP4.83
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclobutylsulfanyl-3-pyridinyl)-2-methylindolizine-8-carbonitrile?
The IUPAC name of 5-(4-cyclobutylsulfanyl-3-pyridinyl)-2-methylindolizine-8-carbonitrile (CID 151228218) is 5-(4-cyclobutylsulfanyl-3-pyridinyl)-2-methylindolizine-8-carbonitrile.
What is the SMILES notation for 5-(4-cyclobutylsulfanyl-3-pyridinyl)-2-methylindolizine-8-carbonitrile?
The canonical SMILES for 5-(4-cyclobutylsulfanyl-3-pyridinyl)-2-methylindolizine-8-carbonitrile is Cc1cc2c(C#N)ccc(-c3cnccc3SC3CCC3)n2c1.
What is the InChIKey of 5-(4-cyclobutylsulfanyl-3-pyridinyl)-2-methylindolizine-8-carbonitrile?
The InChIKey is NNSFSEMENPRJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3S/c1-13-9-18-14(10-20)5-6-17(22(18)12-13)16-11-21-8-7-19(16)23-15-3-2-4-15/h5-9,11-12,15H,2-4H2,1H3.
What are the key properties of 5-(4-cyclobutylsulfanyl-3-pyridinyl)-2-methylindolizine-8-carbonitrile?
5-(4-cyclobutylsulfanyl-3-pyridinyl)-2-methylindolizine-8-carbonitrile has a molecular weight of 319.43 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclobutylsulfanyl-3-pyridinyl)-2-methylindolizine-8-carbonitrile is sourced from PubChem (CID 151228218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).