N-(1,1-dioxothiolan-3-yl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide

C20H21N3O4S — CID 109088377

IUPACN-(1,1-dioxothiolan-3-yl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
SMILESCC1Cc2ccccc2N1C(=O)c1ccnc(C(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C20H21N3O4S/c1-13-10-14-4-2-3-5-18(14)23(13)20(25)15-6-8-21-17(11-15)19(24)22-16-7-9-28(26,27)12-16/h2-6,8,11,13,16H,7,9-10,12H2,1H3,(H,22,24)
InChIKeyFMAXTEWZRPTQSL-UHFFFAOYSA-N
MW399.47 g/mol
LogP1.59
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide

N-(1,1-dioxothiolan-3-yl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide (PubChem CID 109088377) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
PubChem CID109088377
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC NameN-(1,1-dioxothiolan-3-yl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
SMILESCC1Cc2ccccc2N1C(=O)c1ccnc(C(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C20H21N3O4S/c1-13-10-14-4-2-3-5-18(14)23(13)20(25)15-6-8-21-17(11-15)19(24)22-16-7-9-28(26,27)12-16/h2-6,8,11,13,16H,7,9-10,12H2,1H3,(H,22,24)
InChIKeyFMAXTEWZRPTQSL-UHFFFAOYSA-N
XLogP1.59
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,1-dioxothiolan-3-yl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide with MolForge

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081063
N-(2,3-dimethylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109092172
N-(2,4-difluorophenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109093329
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109085832
N-(3-methoxypropyl)-2-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-4-carboxamide
CID 109082621
N-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081834
2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109088353
4-N-(1,1-dioxothiolan-3-yl)-2-N-propylpyridine-2,4-dicarboxamide
CID 109077860
2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109086077
[4-(cycloheptylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109217194
N-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]acetamide
CID 112532256
2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109088375

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide (CID 109088377) is N-(1,1-dioxothiolan-3-yl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide is CC1Cc2ccccc2N1C(=O)c1ccnc(C(=O)NC2CCS(=O)(=O)C2)c1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is FMAXTEWZRPTQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-13-10-14-4-2-3-5-18(14)23(13)20(25)15-6-8-21-17(11-15)19(24)22-16-7-9-28(26,27)12-16/h2-6,8,11,13,16H,7,9-10,12H2,1H3,(H,22,24).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide?
N-(1,1-dioxothiolan-3-yl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109088377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).