2-fluoro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide

C18H20FN3O3S — CID 155781281

IUPAC2-fluoro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cccnc2F)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H20FN3O3S/c1-13-7-8-14(21-18(23)15-6-5-9-20-17(15)19)12-16(13)26(24,25)22-10-3-2-4-11-22/h5-9,12H,2-4,10-11H2,1H3,(H,21,23)
InChIKeyRZEVYOTYALXIGB-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.96
Rot. Bonds4

About 2-fluoro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide

2-fluoro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide (PubChem CID 155781281) has the molecular formula C18H20FN3O3S and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-fluoro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
PubChem CID155781281
Molecular FormulaC18H20FN3O3S
Molecular Weight377.44 g/mol
Exact Mass377.12
IUPAC Name2-fluoro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cccnc2F)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H20FN3O3S/c1-13-7-8-14(21-18(23)15-6-5-9-20-17(15)19)12-16(13)26(24,25)22-10-3-2-4-11-22/h5-9,12H,2-4,10-11H2,1H3,(H,21,23)
InChIKeyRZEVYOTYALXIGB-UHFFFAOYSA-N
XLogP2.96
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide
CID 32739299
2-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 119943663
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,5-difluorobenzamide
CID 3602667
5-amino-2-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide;hydrochloride
CID 120616618
2,5-dimethyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 56921836
3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 24635475
[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 4616264
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methoxypyridine-3-carboxamide
CID 39983441
N-[2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl]-2-methylbenzamide
CID 24687782
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]furan-2-carboxamide
CID 3592992
4-(dimethylamino)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 25443715
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 46489174

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-fluoro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide (CID 155781281) is 2-fluoro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-fluoro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cccnc2F)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 2-fluoro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
The InChIKey is RZEVYOTYALXIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3S/c1-13-7-8-14(21-18(23)15-6-5-9-20-17(15)19)12-16(13)26(24,25)22-10-3-2-4-11-22/h5-9,12H,2-4,10-11H2,1H3,(H,21,23).
What are the key properties of 2-fluoro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
2-fluoro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 155781281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).