6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carbothioamide

C16H15N3OS — CID 63724580

IUPAC6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carbothioamide
SMILESCC1Cc2ccccc2N1C(=O)c1ccc(C(N)=S)cn1
InChIInChI=1S/C16H15N3OS/c1-10-8-11-4-2-3-5-14(11)19(10)16(20)13-7-6-12(9-18-13)15(17)21/h2-7,9-10H,8H2,1H3,(H2,17,21)
InChIKeyURLJOHOUXBNMBO-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.31
Rot. Bonds2

About 6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carbothioamide

6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carbothioamide (PubChem CID 63724580) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carbothioamide
PubChem CID63724580
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carbothioamide
SMILESCC1Cc2ccccc2N1C(=O)c1ccc(C(N)=S)cn1
InChIInChI=1S/C16H15N3OS/c1-10-8-11-4-2-3-5-14(11)19(10)16(20)13-7-6-12(9-18-13)15(17)21/h2-7,9-10H,8H2,1H3,(H2,17,21)
InChIKeyURLJOHOUXBNMBO-UHFFFAOYSA-N
XLogP2.31
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carboxylic acid
CID 43427178
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 93240954
(5-anilino-2-pyridinyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109197131
(2-methyl-2,3-dihydroindol-1-yl)-(5-piperidin-1-yl-2-pyridinyl)methanone
CID 109182883
6-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carbothioamide
CID 43185008
[5-(methylamino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 107374043
5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-2-carbothioamide
CID 115488133
[5-(2,6-difluoroanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109200832
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
(2-methyl-2,3-dihydroindol-1-yl)-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]methanone
CID 109130258
6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbothioamide
CID 79181657
(2-methyl-2,3-dihydroindol-1-yl)-(6-methylpyrimidin-4-yl)methanone
CID 110863859

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carbothioamide?
The IUPAC name of 6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carbothioamide (CID 63724580) is 6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carbothioamide.
What is the SMILES notation for 6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carbothioamide?
The canonical SMILES for 6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carbothioamide is CC1Cc2ccccc2N1C(=O)c1ccc(C(N)=S)cn1.
What is the InChIKey of 6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carbothioamide?
The InChIKey is URLJOHOUXBNMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-10-8-11-4-2-3-5-14(11)19(10)16(20)13-7-6-12(9-18-13)15(17)21/h2-7,9-10H,8H2,1H3,(H2,17,21).
What are the key properties of 6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carbothioamide?
6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carbothioamide has a molecular weight of 297.38 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carbothioamide is sourced from PubChem (CID 63724580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).