6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide

C20H23N3O3S — CID 109160154

IUPAC6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(N2CCc3ccccc32)nc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C20H23N3O3S/c1-2-22(17-10-12-27(25,26)14-17)20(24)16-7-8-19(21-13-16)23-11-9-15-5-3-4-6-18(15)23/h3-8,13,17H,2,9-12,14H2,1H3
InChIKeyJFOMEBYCOVGLJD-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.42
Rot. Bonds4

About 6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide

6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide (PubChem CID 109160154) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide
PubChem CID109160154
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(N2CCc3ccccc32)nc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C20H23N3O3S/c1-2-22(17-10-12-27(25,26)14-17)20(24)16-7-8-19(21-13-16)23-11-9-15-5-3-4-6-18(15)23/h3-8,13,17H,2,9-12,14H2,1H3
InChIKeyJFOMEBYCOVGLJD-UHFFFAOYSA-N
XLogP2.42
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide with MolForge

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Related Compounds

6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyrimidine-4-carboxamide
CID 109352694
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152535
6-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide
CID 109156279
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylnaphthalene-2-carboxamide
CID 9245593
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046113
6-(2,3-dihydroindol-1-yl)-N-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 84570390
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiophen-2-ylpyrimidine-5-carboxamide
CID 72852863
N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-phenylpyrazole-4-carboxamide
CID 134012568
4-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylbenzamide
CID 7259739
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridazine-3-carboxamide
CID 109123005
2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-4-carboxamide
CID 110853810
6-(2,3-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide
CID 109160161

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide?
The IUPAC name of 6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide (CID 109160154) is 6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for 6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide?
The canonical SMILES for 6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide is CCN(C(=O)c1ccc(N2CCc3ccccc32)nc1)C1CCS(=O)(=O)C1.
What is the InChIKey of 6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide?
The InChIKey is JFOMEBYCOVGLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-2-22(17-10-12-27(25,26)14-17)20(24)16-7-8-19(21-13-16)23-11-9-15-5-3-4-6-18(15)23/h3-8,13,17H,2,9-12,14H2,1H3.
What are the key properties of 6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide?
6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 109160154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).