4-(2,5-dimethoxyphenyl)-2-oxo-6-propylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile

C17H20N2O3S — CID 2855252

IUPAC4-(2,5-dimethoxyphenyl)-2-oxo-6-propylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile
SMILESCCCSC1=C(C#N)C(c2cc(OC)ccc2OC)CC(=O)N1
InChIInChI=1S/C17H20N2O3S/c1-4-7-23-17-14(10-18)12(9-16(20)19-17)13-8-11(21-2)5-6-15(13)22-3/h5-6,8,12H,4,7,9H2,1-3H3,(H,19,20)
InChIKeyFOLHNTDIDJAMGK-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.19
Rot. Bonds6

About 4-(2,5-dimethoxyphenyl)-2-oxo-6-propylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile

4-(2,5-dimethoxyphenyl)-2-oxo-6-propylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile (PubChem CID 2855252) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)-2-oxo-6-propylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)-2-oxo-6-propylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile
PubChem CID2855252
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name4-(2,5-dimethoxyphenyl)-2-oxo-6-propylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile
SMILESCCCSC1=C(C#N)C(c2cc(OC)ccc2OC)CC(=O)N1
InChIInChI=1S/C17H20N2O3S/c1-4-7-23-17-14(10-18)12(9-16(20)19-17)13-8-11(21-2)5-6-15(13)22-3/h5-6,8,12H,4,7,9H2,1-3H3,(H,19,20)
InChIKeyFOLHNTDIDJAMGK-UHFFFAOYSA-N
XLogP3.19
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)-2-oxo-6-propylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile?
The IUPAC name of 4-(2,5-dimethoxyphenyl)-2-oxo-6-propylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile (CID 2855252) is 4-(2,5-dimethoxyphenyl)-2-oxo-6-propylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)-2-oxo-6-propylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)-2-oxo-6-propylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile is CCCSC1=C(C#N)C(c2cc(OC)ccc2OC)CC(=O)N1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)-2-oxo-6-propylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile?
The InChIKey is FOLHNTDIDJAMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-4-7-23-17-14(10-18)12(9-16(20)19-17)13-8-11(21-2)5-6-15(13)22-3/h5-6,8,12H,4,7,9H2,1-3H3,(H,19,20).
What are the key properties of 4-(2,5-dimethoxyphenyl)-2-oxo-6-propylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile?
4-(2,5-dimethoxyphenyl)-2-oxo-6-propylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile has a molecular weight of 332.43 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyphenyl)-2-oxo-6-propylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile is sourced from PubChem (CID 2855252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).