2-(4-aminopiperidin-1-yl)-4-ethyl-6-[[4-(methylsulfanylmethyl)phenyl]methylsulfanyl]pyridine-3,5-dicarbonitrile

C23H27N5S2 — CID 145418648

IUPAC2-(4-aminopiperidin-1-yl)-4-ethyl-6-[[4-(methylsulfanylmethyl)phenyl]methylsulfanyl]pyridine-3,5-dicarbonitrile
SMILESCCc1c(C#N)c(SCc2ccc(CSC)cc2)nc(N2CCC(N)CC2)c1C#N
InChIInChI=1S/C23H27N5S2/c1-3-19-20(12-24)22(28-10-8-18(26)9-11-28)27-23(21(19)13-25)30-15-17-6-4-16(5-7-17)14-29-2/h4-7,18H,3,8-11,14-15,26H2,1-2H3
InChIKeyKLLRJJORFPKFAS-UHFFFAOYSA-N
MW437.64 g/mol
LogP4.47
Rot. Bonds7

About 2-(4-aminopiperidin-1-yl)-4-ethyl-6-[[4-(methylsulfanylmethyl)phenyl]methylsulfanyl]pyridine-3,5-dicarbonitrile

2-(4-aminopiperidin-1-yl)-4-ethyl-6-[[4-(methylsulfanylmethyl)phenyl]methylsulfanyl]pyridine-3,5-dicarbonitrile (PubChem CID 145418648) has the molecular formula C23H27N5S2 and a molecular weight of 437.64 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-4-ethyl-6-[[4-(methylsulfanylmethyl)phenyl]methylsulfanyl]pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-4-ethyl-6-[[4-(methylsulfanylmethyl)phenyl]methylsulfanyl]pyridine-3,5-dicarbonitrile
PubChem CID145418648
Molecular FormulaC23H27N5S2
Molecular Weight437.64 g/mol
Exact Mass437.17
IUPAC Name2-(4-aminopiperidin-1-yl)-4-ethyl-6-[[4-(methylsulfanylmethyl)phenyl]methylsulfanyl]pyridine-3,5-dicarbonitrile
SMILESCCc1c(C#N)c(SCc2ccc(CSC)cc2)nc(N2CCC(N)CC2)c1C#N
InChIInChI=1S/C23H27N5S2/c1-3-19-20(12-24)22(28-10-8-18(26)9-11-28)27-23(21(19)13-25)30-15-17-6-4-16(5-7-17)14-29-2/h4-7,18H,3,8-11,14-15,26H2,1-2H3
InChIKeyKLLRJJORFPKFAS-UHFFFAOYSA-N
XLogP4.47
TPSA89.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.64
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-aminopiperidin-1-yl)-4-ethyl-6-[[4-(methylsulfanylmethyl)phenyl]methylsulfanyl]pyridine-3,5-dicarbonitrile 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 2-(4-aminopiperidin-1-yl)-4-ethyl-6-[[4-(methylsulfanylmethyl)phenyl]methylsulfanyl]pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-4-ethyl-6-[[4-(methylsulfanylmethyl)phenyl]methylsulfanyl]pyridine-3,5-dicarbonitrile (CID 145418648) is 2-(4-aminopiperidin-1-yl)-4-ethyl-6-[[4-(methylsulfanylmethyl)phenyl]methylsulfanyl]pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-4-ethyl-6-[[4-(methylsulfanylmethyl)phenyl]methylsulfanyl]pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-4-ethyl-6-[[4-(methylsulfanylmethyl)phenyl]methylsulfanyl]pyridine-3,5-dicarbonitrile is CCc1c(C#N)c(SCc2ccc(CSC)cc2)nc(N2CCC(N)CC2)c1C#N.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-4-ethyl-6-[[4-(methylsulfanylmethyl)phenyl]methylsulfanyl]pyridine-3,5-dicarbonitrile?
The InChIKey is KLLRJJORFPKFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5S2/c1-3-19-20(12-24)22(28-10-8-18(26)9-11-28)27-23(21(19)13-25)30-15-17-6-4-16(5-7-17)14-29-2/h4-7,18H,3,8-11,14-15,26H2,1-2H3.
What are the key properties of 2-(4-aminopiperidin-1-yl)-4-ethyl-6-[[4-(methylsulfanylmethyl)phenyl]methylsulfanyl]pyridine-3,5-dicarbonitrile?
2-(4-aminopiperidin-1-yl)-4-ethyl-6-[[4-(methylsulfanylmethyl)phenyl]methylsulfanyl]pyridine-3,5-dicarbonitrile has a molecular weight of 437.64 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-4-ethyl-6-[[4-(methylsulfanylmethyl)phenyl]methylsulfanyl]pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 145418648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).