5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide

C20H21N3O4S — CID 109106503

IUPAC5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cncc(C(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C20H21N3O4S/c24-19(22-17-7-9-28(26,27)13-17)15-10-16(12-21-11-15)20(25)23-8-3-5-14-4-1-2-6-18(14)23/h1-2,4,6,10-12,17H,3,5,7-9,13H2,(H,22,24)
InChIKeyOWZLBKXRCIBDHV-UHFFFAOYSA-N
MW399.47 g/mol
LogP1.59
Rot. Bonds3

About 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide

5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide (PubChem CID 109106503) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
PubChem CID109106503
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cncc(C(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C20H21N3O4S/c24-19(22-17-7-9-28(26,27)13-17)15-10-16(12-21-11-15)20(25)23-8-3-5-14-4-1-2-6-18(14)23/h1-2,4,6,10-12,17H,3,5,7-9,13H2,(H,22,24)
InChIKeyOWZLBKXRCIBDHV-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 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide with MolForge

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Related Compounds

5-(2,3-dihydroindole-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109106502
N-(1,1-dioxothiolan-3-yl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102518
[5-(cyclopropylamino)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109223845
3,4-dihydro-2H-quinolin-1-yl-[2-[(1,1-dioxothiolan-3-yl)amino]-4-pyridinyl]methanone
CID 109173335
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109103635
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 109108174
N-(1,1-dioxothiolan-3-yl)-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103755
3,4-dihydro-2H-quinolin-1-yl-[6-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]methanone
CID 109351741
N-butan-2-yl-5-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxamide
CID 109102375
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 109108184
[5-(cyclopropylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109223844
5-(azepan-1-yl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109237170

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide?
The IUPAC name of 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide (CID 109106503) is 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide is O=C(NC1CCS(=O)(=O)C1)c1cncc(C(=O)N2CCCc3ccccc32)c1.
What is the InChIKey of 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide?
The InChIKey is OWZLBKXRCIBDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c24-19(22-17-7-9-28(26,27)13-17)15-10-16(12-21-11-15)20(25)23-8-3-5-14-4-1-2-6-18(14)23/h1-2,4,6,10-12,17H,3,5,7-9,13H2,(H,22,24).
What are the key properties of 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide?
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-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 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109106503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).