6-(4-acetamidoanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide

C18H20N4O4S — CID 109159396

IUPAC6-(4-acetamidoanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(Nc2ccc(C(=O)NC3CCS(=O)(=O)C3)cn2)cc1
InChIInChI=1S/C18H20N4O4S/c1-12(23)20-14-3-5-15(6-4-14)21-17-7-2-13(10-19-17)18(24)22-16-8-9-27(25,26)11-16/h2-7,10,16H,8-9,11H2,1H3,(H,19,21)(H,20,23)(H,22,24)
InChIKeyJULMKYPIQDGPJF-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.70
Rot. Bonds5

About 6-(4-acetamidoanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide

6-(4-acetamidoanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide (PubChem CID 109159396) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is 6-(4-acetamidoanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-acetamidoanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
PubChem CID109159396
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC Name6-(4-acetamidoanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(Nc2ccc(C(=O)NC3CCS(=O)(=O)C3)cn2)cc1
InChIInChI=1S/C18H20N4O4S/c1-12(23)20-14-3-5-15(6-4-14)21-17-7-2-13(10-19-17)18(24)22-16-8-9-27(25,26)11-16/h2-7,10,16H,8-9,11H2,1H3,(H,19,21)(H,20,23)(H,22,24)
InChIKeyJULMKYPIQDGPJF-UHFFFAOYSA-N
XLogP1.70
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109159362
N-(4-acetamidophenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109159319
6-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109159393
N-(1,1-dioxothiolan-3-yl)-6-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109159361
2-(3-acetamidoanilino)-N-(1,1-dioxothiolan-3-yl)pyrimidine-5-carboxamide
CID 109260824
6-(2,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109159404
6-[(1,1-dioxothiolan-3-yl)amino]-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109159281
N-(1,1-dioxothian-4-yl)-6-(methylamino)pyridine-3-carboxamide
CID 62169779
N-(1,1-dioxothiolan-3-yl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156112
6-(5-chloro-2-methoxyanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109159378
6-(3-acetamidoanilino)-N-cycloheptylpyridine-3-carboxamide
CID 109161071
N-(4-acetamidophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide
CID 109285306

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetamidoanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-acetamidoanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide (CID 109159396) is 6-(4-acetamidoanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-acetamidoanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-acetamidoanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide is CC(=O)Nc1ccc(Nc2ccc(C(=O)NC3CCS(=O)(=O)C3)cn2)cc1.
What is the InChIKey of 6-(4-acetamidoanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide?
The InChIKey is JULMKYPIQDGPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-12(23)20-14-3-5-15(6-4-14)21-17-7-2-13(10-19-17)18(24)22-16-8-9-27(25,26)11-16/h2-7,10,16H,8-9,11H2,1H3,(H,19,21)(H,20,23)(H,22,24).
What are the key properties of 6-(4-acetamidoanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide?
6-(4-acetamidoanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetamidoanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109159396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).