6-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide

C18H19N3O4S — CID 109159393

IUPAC6-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
SMILESCC(=O)c1cccc(Nc2ccc(C(=O)NC3CCS(=O)(=O)C3)cn2)c1
InChIInChI=1S/C18H19N3O4S/c1-12(22)13-3-2-4-15(9-13)20-17-6-5-14(10-19-17)18(23)21-16-7-8-26(24,25)11-16/h2-6,9-10,16H,7-8,11H2,1H3,(H,19,20)(H,21,23)
InChIKeyRXCJSVWVZVMGSI-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.94
Rot. Bonds5

About 6-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide

6-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide (PubChem CID 109159393) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 6-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
PubChem CID109159393
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name6-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
SMILESCC(=O)c1cccc(Nc2ccc(C(=O)NC3CCS(=O)(=O)C3)cn2)c1
InChIInChI=1S/C18H19N3O4S/c1-12(22)13-3-2-4-15(9-13)20-17-6-5-14(10-19-17)18(23)21-16-7-8-26(24,25)11-16/h2-6,9-10,16H,7-8,11H2,1H3,(H,19,20)(H,21,23)
InChIKeyRXCJSVWVZVMGSI-UHFFFAOYSA-N
XLogP1.94
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-acetamidoanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109159396
N-(1,1-dioxothiolan-3-yl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109159362
2-(3-acetamidoanilino)-N-(1,1-dioxothiolan-3-yl)pyrimidine-5-carboxamide
CID 109260824
methyl 3-[[5-[(1,1-dioxothiolan-3-yl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109285220
6-(3-acetamidoanilino)-N-cycloheptylpyridine-3-carboxamide
CID 109161071
N-(1,1-dioxothiolan-3-yl)-6-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109159361
N-(3-acetylphenyl)-4-[(1,1-dioxothiolan-3-yl)carbamoylamino]benzamide
CID 42655672
6-(2,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109159404
N-(1,1-dioxothiolan-3-yl)-5-(3-methylanilino)pyridine-3-carboxamide
CID 109237173
6-(3-bromoanilino)-N-cyclopentylpyridine-3-carboxamide
CID 109152271
2-(3-acetylanilino)-N-cyclopropylpyrimidine-5-carboxamide
CID 109247399
N-(1,1-dioxothiolan-3-yl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156112

Frequently Asked Questions

What is the IUPAC name of 6-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide?
The IUPAC name of 6-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide (CID 109159393) is 6-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide is CC(=O)c1cccc(Nc2ccc(C(=O)NC3CCS(=O)(=O)C3)cn2)c1.
What is the InChIKey of 6-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide?
The InChIKey is RXCJSVWVZVMGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-12(22)13-3-2-4-15(9-13)20-17-6-5-14(10-19-17)18(23)21-16-7-8-26(24,25)11-16/h2-6,9-10,16H,7-8,11H2,1H3,(H,19,20)(H,21,23).
What are the key properties of 6-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide?
6-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide has a molecular weight of 373.43 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109159393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).