2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide

C19H15FN4O2S — CID 3713328

IUPAC2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(Sc2ncccc2C(=O)Nc2ccc(F)cc2)cn1
InChIInChI=1S/C19H15FN4O2S/c1-12(25)23-17-9-8-15(11-22-17)27-19-16(3-2-10-21-19)18(26)24-14-6-4-13(20)5-7-14/h2-11H,1H3,(H,24,26)(H,22,23,25)
InChIKeyGZKSGGUOGSWEIA-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.98
Rot. Bonds5

About 2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide

2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide (PubChem CID 3713328) has the molecular formula C19H15FN4O2S and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide
PubChem CID3713328
Molecular FormulaC19H15FN4O2S
Molecular Weight382.42 g/mol
Exact Mass382.09
IUPAC Name2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(Sc2ncccc2C(=O)Nc2ccc(F)cc2)cn1
InChIInChI=1S/C19H15FN4O2S/c1-12(25)23-17-9-8-15(11-22-17)27-19-16(3-2-10-21-19)18(26)24-14-6-4-13(20)5-7-14/h2-11H,1H3,(H,24,26)(H,22,23,25)
InChIKeyGZKSGGUOGSWEIA-UHFFFAOYSA-N
XLogP3.98
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(5-fluoropyridin-2-yl)amino]-N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide
CID 90153688
8-Heteroarylthiomethyldipyridodiazepinone deriv. 16
CID 515051
4-[(2-carbamoylphenyl)amino]-6-[(5-fluoropyridin-2-yl)amino]-N-methylpyridine-3-carboxamide
CID 118473558
N,N-dimethyl-2-[3-[4-(2-methylsulfanylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10549680
2-(2-Acetylaminopyridin-4-ylmethylthio)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 11188964
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)nicotinamide
CID 804510
Dipyridodiazepinone deriv. 38
CID 463558
N-(aminomethyl)-5-[2-[[4-(4-fluoropiperidin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 57404486
N-(aminomethyl)-5-[2-[[4-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 57404487
N-methyl-4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)pyridine-3-carboxamide
CID 75201717
4-(2-Carbamoylanilino)-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide
CID 154701267
6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 155517004

Frequently Asked Questions

What is the IUPAC name of 2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide (CID 3713328) is 2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide is CC(=O)Nc1ccc(Sc2ncccc2C(=O)Nc2ccc(F)cc2)cn1.
What is the InChIKey of 2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is GZKSGGUOGSWEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2S/c1-12(25)23-17-9-8-15(11-22-17)27-19-16(3-2-10-21-19)18(26)24-14-6-4-13(20)5-7-14/h2-11H,1H3,(H,24,26)(H,22,23,25).
What are the key properties of 2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide?
2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-acetamido-3-pyridinyl)sulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 3713328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).