5-(2,3-dihydroindole-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide

C19H19N3O4S — CID 109106502

IUPAC5-(2,3-dihydroindole-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cncc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C19H19N3O4S/c23-18(21-16-6-8-27(25,26)12-16)14-9-15(11-20-10-14)19(24)22-7-5-13-3-1-2-4-17(13)22/h1-4,9-11,16H,5-8,12H2,(H,21,23)
InChIKeyMEHUYVLSQHEJCB-UHFFFAOYSA-N
MW385.45 g/mol
LogP1.20
Rot. Bonds3

About 5-(2,3-dihydroindole-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide

5-(2,3-dihydroindole-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide (PubChem CID 109106502) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 5-(2,3-dihydroindole-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2,3-dihydroindole-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
PubChem CID109106502
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name5-(2,3-dihydroindole-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cncc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C19H19N3O4S/c23-18(21-16-6-8-27(25,26)12-16)14-9-15(11-20-10-14)19(24)22-7-5-13-3-1-2-4-17(13)22/h1-4,9-11,16H,5-8,12H2,(H,21,23)
InChIKeyMEHUYVLSQHEJCB-UHFFFAOYSA-N
XLogP1.20
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109106503
N-(1,1-dioxothiolan-3-yl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102518
[5-(cyclopropylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109223844
N-(1,1-dioxothiolan-3-yl)-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103755
N-(4-chlorophenyl)-5-(2,3-dihydroindole-1-carbonyl)pyridine-3-carboxamide
CID 109108143
3-N-(2-chlorophenyl)-5-N-(1,1-dioxothiolan-3-yl)pyridine-3,5-dicarboxamide
CID 109106515
3,4-dihydro-2H-quinolin-1-yl-[2-[(1,1-dioxothiolan-3-yl)amino]-4-pyridinyl]methanone
CID 109173335
6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide
CID 109351828
5-(azepan-1-yl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109237170
[5-(cyclopropylamino)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109223845
5-(2,3-dihydroindole-1-carbonyl)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109105747
5-N-(1,1-dioxothiolan-3-yl)-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
CID 109106500

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindole-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide?
The IUPAC name of 5-(2,3-dihydroindole-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide (CID 109106502) is 5-(2,3-dihydroindole-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2,3-dihydroindole-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2,3-dihydroindole-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide is O=C(NC1CCS(=O)(=O)C1)c1cncc(C(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 5-(2,3-dihydroindole-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide?
The InChIKey is MEHUYVLSQHEJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c23-18(21-16-6-8-27(25,26)12-16)14-9-15(11-20-10-14)19(24)22-7-5-13-3-1-2-4-17(13)22/h1-4,9-11,16H,5-8,12H2,(H,21,23).
What are the key properties of 5-(2,3-dihydroindole-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide?
5-(2,3-dihydroindole-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroindole-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109106502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).