5-methylsulfanyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide

C15H15N3OS — CID 10803066

IUPAC5-methylsulfanyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
SMILESCSc1ccc2c(c1)CCN2C(=O)Nc1cccnc1
InChIInChI=1S/C15H15N3OS/c1-20-13-4-5-14-11(9-13)6-8-18(14)15(19)17-12-3-2-7-16-10-12/h2-5,7,9-10H,6,8H2,1H3,(H,17,19)
InChIKeyIRRJKRJNCNEHIL-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.40
Rot. Bonds2

About 5-methylsulfanyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide

5-methylsulfanyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide (PubChem CID 10803066) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 5-methylsulfanyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-methylsulfanyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
PubChem CID10803066
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name5-methylsulfanyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
SMILESCSc1ccc2c(c1)CCN2C(=O)Nc1cccnc1
InChIInChI=1S/C15H15N3OS/c1-20-13-4-5-14-11(9-13)6-8-18(14)15(19)17-12-3-2-7-16-10-12/h2-5,7,9-10H,6,8H2,1H3,(H,17,19)
InChIKeyIRRJKRJNCNEHIL-UHFFFAOYSA-N
XLogP3.40
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-methylsulfanyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide (CID 10803066) is 5-methylsulfanyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-methylsulfanyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-methylsulfanyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide is CSc1ccc2c(c1)CCN2C(=O)Nc1cccnc1.
What is the InChIKey of 5-methylsulfanyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
The InChIKey is IRRJKRJNCNEHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-20-13-4-5-14-11(9-13)6-8-18(14)15(19)17-12-3-2-7-16-10-12/h2-5,7,9-10H,6,8H2,1H3,(H,17,19).
What are the key properties of 5-methylsulfanyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
5-methylsulfanyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 10803066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).