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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Related Compounds

1-methyl-N-phenyl-1H-indole-3-carboxamide
CID 9038340
1-methyl-1H-indole-3-carboxamide
CID 823187
3-(1-methyl-1H-indol-3-yl)-4-[1-methyl-2-(methylsulfanyl)-1H-indol-3-yl]-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327699
1-(2-methyl-1H-indol-3-yl)-2-(pyridin-2-ylsulfanyl)ethanone
CID 753522
1-Pentyl-N-(phenylmethyl)-1H-indole-3-carboxamide
CID 2227769
N-[4-(propan-2-yl)phenyl]-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644838
(1-(2-(4-Methylthiazol-5-yl)ethyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11660635
1-[1-(4-Propan-2-ylcyclohexyl)piperidin-4-yl]indole-3-carboxamide
CID 134563695
5-[1-(2-Chloro-6-methylsulfanyl-4-pyridinyl)ethenyl]-1-methylindole-3-carboxamide
CID 162644266
[2,6-Bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methanone
CID 162646846
5-[1-[2,6-Bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carbaldehyde
CID 162652396
5-[1-[2,6-Bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole
CID 162658964

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).