6-(2,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide

C16H15F2N3O3S — CID 109159404

IUPAC6-(2,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1ccc(Nc2ccc(F)cc2F)nc1
InChIInChI=1S/C16H15F2N3O3S/c17-11-2-3-14(13(18)7-11)21-15-4-1-10(8-19-15)16(22)20-12-5-6-25(23,24)9-12/h1-4,7-8,12H,5-6,9H2,(H,19,21)(H,20,22)
InChIKeyOALUZJBDDBVXAB-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.02
Rot. Bonds4

About 6-(2,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide

6-(2,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide (PubChem CID 109159404) has the molecular formula C16H15F2N3O3S and a molecular weight of 367.38 g/mol. Its IUPAC name is 6-(2,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
PubChem CID109159404
Molecular FormulaC16H15F2N3O3S
Molecular Weight367.38 g/mol
Exact Mass367.08
IUPAC Name6-(2,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1ccc(Nc2ccc(F)cc2F)nc1
InChIInChI=1S/C16H15F2N3O3S/c17-11-2-3-14(13(18)7-11)21-15-4-1-10(8-19-15)16(22)20-12-5-6-25(23,24)9-12/h1-4,7-8,12H,5-6,9H2,(H,19,21)(H,20,22)
InChIKeyOALUZJBDDBVXAB-UHFFFAOYSA-N
XLogP2.02
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(2,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide with MolForge

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Related Compounds

6-(5-chloro-2-methoxyanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109159378
N-(1,1-dioxothiolan-3-yl)-6-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109159361
6-(4-acetamidoanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109159396
6-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109159393
N-(1,1-dioxothiolan-3-yl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109159362
N-cyclopropyl-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
CID 109271723
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
2-N-(2,4-difluorophenyl)-4-N-(1,1-dioxothiolan-3-yl)pyrimidine-2,4-diamine
CID 112895932
N-cyclohexyl-5-(2,4-difluoroanilino)pyridine-3-carboxamide
CID 109226790
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3,4-difluorobenzamide
CID 113028644
N-(1,1-dioxothiolan-3-yl)-6-(2-fluoroanilino)-N-methylpyridine-3-carboxamide
CID 109159499

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide?
The IUPAC name of 6-(2,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide (CID 109159404) is 6-(2,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(2,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-(2,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide is O=C(NC1CCS(=O)(=O)C1)c1ccc(Nc2ccc(F)cc2F)nc1.
What is the InChIKey of 6-(2,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide?
The InChIKey is OALUZJBDDBVXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O3S/c17-11-2-3-14(13(18)7-11)21-15-4-1-10(8-19-15)16(22)20-12-5-6-25(23,24)9-12/h1-4,7-8,12H,5-6,9H2,(H,19,21)(H,20,22).
What are the key properties of 6-(2,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide?
6-(2,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109159404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).