8-pyridin-3-yl-6-pyrrolidin-1-yl-3,4-dihydro-1H-isothiochromene-5-carbonitrile

C19H19N3S — CID 11141783

IUPAC8-pyridin-3-yl-6-pyrrolidin-1-yl-3,4-dihydro-1H-isothiochromene-5-carbonitrile
SMILESN#Cc1c(N2CCCC2)cc(-c2cccnc2)c2c1CCSC2
InChIInChI=1S/C19H19N3S/c20-11-17-15-5-9-23-13-18(15)16(14-4-3-6-21-12-14)10-19(17)22-7-1-2-8-22/h3-4,6,10,12H,1-2,5,7-9,13H2
InChIKeyKLMRXHBDDYZXAX-UHFFFAOYSA-N
MW321.45 g/mol
LogP4.01
Rot. Bonds2

About 8-pyridin-3-yl-6-pyrrolidin-1-yl-3,4-dihydro-1H-isothiochromene-5-carbonitrile

8-pyridin-3-yl-6-pyrrolidin-1-yl-3,4-dihydro-1H-isothiochromene-5-carbonitrile (PubChem CID 11141783) has the molecular formula C19H19N3S and a molecular weight of 321.45 g/mol. Its IUPAC name is 8-pyridin-3-yl-6-pyrrolidin-1-yl-3,4-dihydro-1H-isothiochromene-5-carbonitrile.

Molecular Properties

Compound Name8-pyridin-3-yl-6-pyrrolidin-1-yl-3,4-dihydro-1H-isothiochromene-5-carbonitrile
PubChem CID11141783
Molecular FormulaC19H19N3S
Molecular Weight321.45 g/mol
Exact Mass321.13
IUPAC Name8-pyridin-3-yl-6-pyrrolidin-1-yl-3,4-dihydro-1H-isothiochromene-5-carbonitrile
SMILESN#Cc1c(N2CCCC2)cc(-c2cccnc2)c2c1CCSC2
InChIInChI=1S/C19H19N3S/c20-11-17-15-5-9-23-13-18(15)16(14-4-3-6-21-12-14)10-19(17)22-7-1-2-8-22/h3-4,6,10,12H,1-2,5,7-9,13H2
InChIKeyKLMRXHBDDYZXAX-UHFFFAOYSA-N
XLogP4.01
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-pyridin-3-yl-6-pyrrolidin-1-yl-3,4-dihydro-1H-isothiochromene-5-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

4-methyl-5-pyridin-3-yl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile
CID 59930320
3,5-dipyridin-3-ylpyridine-4-carbonitrile
CID 46316354
7-naphthalen-2-yl-9-piperidin-1-yl-5,6-dihydrobenzo[f]quinoline-10-carbonitrile
CID 102290398
2,5-dipyridin-3-ylbenzonitrile
CID 46316425
2-pyridin-3-ylnaphthalene-1-carbonitrile
CID 71514388
2-bromo-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonitrile
CID 21255187
2,6-difluoro-3-pyridin-3-ylbenzonitrile
CID 58731401
1-[4,5-bis(2-oxopiperidin-1-yl)-2-pyridin-3-ylphenyl]piperidin-2-one
CID 172517182
4-phenyl-2-pyridin-2-yl-6-pyrrolidin-1-ylbenzonitrile
CID 72697030
3-pyridin-3-yl-6,7-dihydro-5H-pyrrolizine-1-carbonitrile
CID 13375485
6-bromo-5-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonitrile
CID 21255186
6-amino-8-phenyl-3,4-dihydro-1H-isothiochromene-5,7-dicarbonitrile
CID 132544332

Frequently Asked Questions

What is the IUPAC name of 8-pyridin-3-yl-6-pyrrolidin-1-yl-3,4-dihydro-1H-isothiochromene-5-carbonitrile?
The IUPAC name of 8-pyridin-3-yl-6-pyrrolidin-1-yl-3,4-dihydro-1H-isothiochromene-5-carbonitrile (CID 11141783) is 8-pyridin-3-yl-6-pyrrolidin-1-yl-3,4-dihydro-1H-isothiochromene-5-carbonitrile.
What is the SMILES notation for 8-pyridin-3-yl-6-pyrrolidin-1-yl-3,4-dihydro-1H-isothiochromene-5-carbonitrile?
The canonical SMILES for 8-pyridin-3-yl-6-pyrrolidin-1-yl-3,4-dihydro-1H-isothiochromene-5-carbonitrile is N#Cc1c(N2CCCC2)cc(-c2cccnc2)c2c1CCSC2.
What is the InChIKey of 8-pyridin-3-yl-6-pyrrolidin-1-yl-3,4-dihydro-1H-isothiochromene-5-carbonitrile?
The InChIKey is KLMRXHBDDYZXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3S/c20-11-17-15-5-9-23-13-18(15)16(14-4-3-6-21-12-14)10-19(17)22-7-1-2-8-22/h3-4,6,10,12H,1-2,5,7-9,13H2.
What are the key properties of 8-pyridin-3-yl-6-pyrrolidin-1-yl-3,4-dihydro-1H-isothiochromene-5-carbonitrile?
8-pyridin-3-yl-6-pyrrolidin-1-yl-3,4-dihydro-1H-isothiochromene-5-carbonitrile has a molecular weight of 321.45 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pyridin-3-yl-6-pyrrolidin-1-yl-3,4-dihydro-1H-isothiochromene-5-carbonitrile is sourced from PubChem (CID 11141783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).