5-[(4-fluorophenyl)methyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide

C18H19FN2O3S — CID 124958838

IUPAC5-[(4-fluorophenyl)methyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide
SMILESC[C@]1(NC(=O)c2cncc(Cc3ccc(F)cc3)c2)CCS(=O)(=O)C1
InChIInChI=1S/C18H19FN2O3S/c1-18(6-7-25(23,24)12-18)21-17(22)15-9-14(10-20-11-15)8-13-2-4-16(19)5-3-13/h2-5,9-11H,6-8,12H2,1H3,(H,21,22)/t18-/m0/s1
InChIKeyGIXOUHUQJSRZIU-SFHVURJKSA-N
MW362.43 g/mol
LogP2.12
Rot. Bonds4

About 5-[(4-fluorophenyl)methyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide

5-[(4-fluorophenyl)methyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide (PubChem CID 124958838) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide
PubChem CID124958838
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name5-[(4-fluorophenyl)methyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide
SMILESC[C@]1(NC(=O)c2cncc(Cc3ccc(F)cc3)c2)CCS(=O)(=O)C1
InChIInChI=1S/C18H19FN2O3S/c1-18(6-7-25(23,24)12-18)21-17(22)15-9-14(10-20-11-15)8-13-2-4-16(19)5-3-13/h2-5,9-11H,6-8,12H2,1H3,(H,21,22)/t18-/m0/s1
InChIKeyGIXOUHUQJSRZIU-SFHVURJKSA-N
XLogP2.12
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(4-fluorophenyl)methyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

5-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 63859452
2-chloro-4-fluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 78790417
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-4-methylsulfanylbenzamide
CID 30415077
4-(methoxymethyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 43020389
5-(aminomethyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide
CID 63722542
N-(3-methyl-1,1-dioxothiolan-3-yl)-2H-triazole-4-carboxamide
CID 112733233
3-bromo-1-(4-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)indole-6-carboxamide
CID 139465037
2,6-dibromo-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-4-carboxamide
CID 140870093
3-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60718307
2-(3,4-dichlorophenyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 2555248
4-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 103951728
2-hydroxy-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60716599

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide (CID 124958838) is 5-[(4-fluorophenyl)methyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide is C[C@]1(NC(=O)c2cncc(Cc3ccc(F)cc3)c2)CCS(=O)(=O)C1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide?
The InChIKey is GIXOUHUQJSRZIU-SFHVURJKSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-18(6-7-25(23,24)12-18)21-17(22)15-9-14(10-20-11-15)8-13-2-4-16(19)5-3-13/h2-5,9-11H,6-8,12H2,1H3,(H,21,22)/t18-/m0/s1.
What are the key properties of 5-[(4-fluorophenyl)methyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide?
5-[(4-fluorophenyl)methyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 124958838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).