N-(4-fluorophenyl)-6-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide

C24H22FN3O3S — CID 91937276

IUPACN-(4-fluorophenyl)-6-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide
SMILESO=C(CSc1ccc(C(=O)Nc2ccc(F)cc2)cn1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H22FN3O3S/c25-19-4-6-20(7-5-19)27-24(30)18-3-10-23(26-15-18)32-16-22(29)17-1-8-21(9-2-17)28-11-13-31-14-12-28/h1-10,15H,11-14,16H2,(H,27,30)
InChIKeySNBOLVGPFSQJIK-UHFFFAOYSA-N
MW451.52 g/mol
LogP4.28
Rot. Bonds7

About N-(4-fluorophenyl)-6-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide

N-(4-fluorophenyl)-6-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide (PubChem CID 91937276) has the molecular formula C24H22FN3O3S and a molecular weight of 451.52 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide
PubChem CID91937276
Molecular FormulaC24H22FN3O3S
Molecular Weight451.52 g/mol
Exact Mass451.14
IUPAC NameN-(4-fluorophenyl)-6-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide
SMILESO=C(CSc1ccc(C(=O)Nc2ccc(F)cc2)cn1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H22FN3O3S/c25-19-4-6-20(7-5-19)27-24(30)18-3-10-23(26-15-18)32-16-22(29)17-1-8-21(9-2-17)28-11-13-31-14-12-28/h1-10,15H,11-14,16H2,(H,27,30)
InChIKeySNBOLVGPFSQJIK-UHFFFAOYSA-N
XLogP4.28
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-fluorophenyl)-6-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 91937265
6-[2-(3-bromophenyl)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 91937266
6-[2-(1-benzothiophen-5-yl)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 91937301
6-[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 91937328
6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 46262434
6-(4-fluoroanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109163278
2-(4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 2994341
4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927
N-(4-fluorophenyl)-6-[2-(N-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide
CID 15980915
N-(4-fluorophenyl)-6-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]sulfanylpyridine-3-carboxamide
CID 91937305
3-(4-fluorophenyl)-N-(4-morpholin-4-ylphenyl)imidazole-4-carboxamide
CID 17461227
4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-6-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide (CID 91937276) is N-(4-fluorophenyl)-6-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-6-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-6-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide is O=C(CSc1ccc(C(=O)Nc2ccc(F)cc2)cn1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-6-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide?
The InChIKey is SNBOLVGPFSQJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O3S/c25-19-4-6-20(7-5-19)27-24(30)18-3-10-23(26-15-18)32-16-22(29)17-1-8-21(9-2-17)28-11-13-31-14-12-28/h1-10,15H,11-14,16H2,(H,27,30).
What are the key properties of N-(4-fluorophenyl)-6-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide?
N-(4-fluorophenyl)-6-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide has a molecular weight of 451.52 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide is sourced from PubChem (CID 91937276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).