5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carboxamide

C19H19N3OS2 — CID 162649227

IUPAC5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carboxamide
SMILESC=C(c1cc(SC)nc(SC)c1)c1ccc2c(c1)c(C(N)=O)cn2C
InChIInChI=1S/C19H19N3OS2/c1-11(13-8-17(24-3)21-18(9-13)25-4)12-5-6-16-14(7-12)15(19(20)23)10-22(16)2/h5-10H,1H2,2-4H3,(H2,20,23)
InChIKeyMADBNGMIXYCJLD-UHFFFAOYSA-N
MW369.52 g/mol
LogP4.18
Rot. Bonds5

About 5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carboxamide

5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carboxamide (PubChem CID 162649227) has the molecular formula C19H19N3OS2 and a molecular weight of 369.52 g/mol. Its IUPAC name is 5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carboxamide.

Molecular Properties

Compound Name5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carboxamide
PubChem CID162649227
Molecular FormulaC19H19N3OS2
Molecular Weight369.52 g/mol
Exact Mass369.10
IUPAC Name5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carboxamide
SMILESC=C(c1cc(SC)nc(SC)c1)c1ccc2c(c1)c(C(N)=O)cn2C
InChIInChI=1S/C19H19N3OS2/c1-11(13-8-17(24-3)21-18(9-13)25-4)12-5-6-16-14(7-12)15(19(20)23)10-22(16)2/h5-10H,1H2,2-4H3,(H2,20,23)
InChIKeyMADBNGMIXYCJLD-UHFFFAOYSA-N
XLogP4.18
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.52
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carboxamide?
The IUPAC name of 5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carboxamide (CID 162649227) is 5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carboxamide.
What is the SMILES notation for 5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carboxamide?
The canonical SMILES for 5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carboxamide is C=C(c1cc(SC)nc(SC)c1)c1ccc2c(c1)c(C(N)=O)cn2C.
What is the InChIKey of 5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carboxamide?
The InChIKey is MADBNGMIXYCJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS2/c1-11(13-8-17(24-3)21-18(9-13)25-4)12-5-6-16-14(7-12)15(19(20)23)10-22(16)2/h5-10H,1H2,2-4H3,(H2,20,23).
What are the key properties of 5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carboxamide?
5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carboxamide has a molecular weight of 369.52 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carboxamide is sourced from PubChem (CID 162649227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).