N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide

C22H21FN4O2S — CID 58447926

IUPACN-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide
SMILESO=C(Cc1ccc(N2CCS(=O)CC2)nc1)Nc1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C22H21FN4O2S/c23-18-3-1-2-17(13-18)20-6-5-19(15-24-20)26-22(28)12-16-4-7-21(25-14-16)27-8-10-30(29)11-9-27/h1-7,13-15H,8-12H2,(H,26,28)
InChIKeyHUTPVLXWOAALSJ-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.03
Rot. Bonds5

About N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide

N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide (PubChem CID 58447926) has the molecular formula C22H21FN4O2S and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide
PubChem CID58447926
Molecular FormulaC22H21FN4O2S
Molecular Weight424.50 g/mol
Exact Mass424.14
IUPAC NameN-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide
SMILESO=C(Cc1ccc(N2CCS(=O)CC2)nc1)Nc1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C22H21FN4O2S/c23-18-3-1-2-17(13-18)20-6-5-19(15-24-20)26-22(28)12-16-4-7-21(25-14-16)27-8-10-30(29)11-9-27/h1-7,13-15H,8-12H2,(H,26,28)
InChIKeyHUTPVLXWOAALSJ-UHFFFAOYSA-N
XLogP3.03
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide with MolForge

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Related Compounds

Wnt-974
CID 46926973
Gnf6231
CID 46927297
N-[6-(2-fluorophenyl)-5-pyridin-4-ylpyrazin-2-yl]cyclopropanecarboxamide
CID 16071901
2''-Phenylamino-6-piperazin-1-yl[2,4'']bipyridinyl-4-carboxylic Acid Methyl Amide
CID 46901384
US10251893, Cpd 51
CID 46926891
US10251893, Cpd 128
CID 46927133
N-(5-(4-Acetylpiperazin-1-yl)pyridin-2-yl)-2-(2',3-dimethyl-[2,4'-bipyridin]-5-yl)acetamide
CID 46927217
2'-Fluoro-3-methyl-N-[5-(2-pyrazinyl)-2-pyridinyl][2,4'-bipyridine]-5-acetamide
CID 46927364
US10251893, Cpd 166
CID 58447954
N-[6-[(1R,5R,6S)-3-amino-2,2,5-trimethyl-1-oxo-1lambda6-thia-4,9-diazabicyclo[4.3.0]nona-1(9),3-dien-5-yl]-5-fluoro-2-pyridinyl]-5-cyano-3-methylpyridine-2-carboxamide
CID 121278479
2-[5-methyl-6-(6-methyl-3-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 121237481
N-(5-(3-chloropyridin-4-yl)-6-(pyridin-2-yl)pyrazin-2-yl)cyclopropanecarboxamide
CID 16071897

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide?
The IUPAC name of N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide (CID 58447926) is N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide?
The canonical SMILES for N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide is O=C(Cc1ccc(N2CCS(=O)CC2)nc1)Nc1ccc(-c2cccc(F)c2)nc1.
What is the InChIKey of N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide?
The InChIKey is HUTPVLXWOAALSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2S/c23-18-3-1-2-17(13-18)20-6-5-19(15-24-20)26-22(28)12-16-4-7-21(25-14-16)27-8-10-30(29)11-9-27/h1-7,13-15H,8-12H2,(H,26,28).
What are the key properties of N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide?
N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide has a molecular weight of 424.50 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 58447926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).