5-fluoro-N-[5-[1-hydroxy-1-(4-methylsulfonylphenyl)propyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide

C22H22FN3O4S — CID 71010089

IUPAC5-fluoro-N-[5-[1-hydroxy-1-(4-methylsulfonylphenyl)propyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
SMILESCCC(O)(c1ccc(S(C)(=O)=O)cc1)c1ccc(NC(=O)c2cncc(F)c2C)nc1
InChIInChI=1S/C22H22FN3O4S/c1-4-22(28,15-5-8-17(9-6-15)31(3,29)30)16-7-10-20(25-11-16)26-21(27)18-12-24-13-19(23)14(18)2/h5-13,28H,4H2,1-3H3,(H,25,26,27)
InChIKeyNRZFTRYXCGQGFT-UHFFFAOYSA-N
MW443.50 g/mol
LogP3.23
Rot. Bonds6

About 5-fluoro-N-[5-[1-hydroxy-1-(4-methylsulfonylphenyl)propyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide

5-fluoro-N-[5-[1-hydroxy-1-(4-methylsulfonylphenyl)propyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide (PubChem CID 71010089) has the molecular formula C22H22FN3O4S and a molecular weight of 443.50 g/mol. Its IUPAC name is 5-fluoro-N-[5-[1-hydroxy-1-(4-methylsulfonylphenyl)propyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[5-[1-hydroxy-1-(4-methylsulfonylphenyl)propyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
PubChem CID71010089
Molecular FormulaC22H22FN3O4S
Molecular Weight443.50 g/mol
Exact Mass443.13
IUPAC Name5-fluoro-N-[5-[1-hydroxy-1-(4-methylsulfonylphenyl)propyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
SMILESCCC(O)(c1ccc(S(C)(=O)=O)cc1)c1ccc(NC(=O)c2cncc(F)c2C)nc1
InChIInChI=1S/C22H22FN3O4S/c1-4-22(28,15-5-8-17(9-6-15)31(3,29)30)16-7-10-20(25-11-16)26-21(27)18-12-24-13-19(23)14(18)2/h5-13,28H,4H2,1-3H3,(H,25,26,27)
InChIKeyNRZFTRYXCGQGFT-UHFFFAOYSA-N
XLogP3.23
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(Z)-5-fluoro-4-methyl-N-(5-(1-(4-(methylsulfonyl)phenyl)prop-1-en-1-yl)pyridin-2-yl)nicotinamide
CID 71010090
7-[6-(2-Hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-[(4-methylsulfonylphenyl)methylamino]pyrido[4,3-d]pyrimidin-4-one
CID 66959605
N-(5-fluoro-2-pyridinyl)-6-[(2-hydroxyphenyl)methylsulfinyl]pyridine-3-carboxamide
CID 91937339
N-(5-fluoro-2-pyridinyl)-6-[(2-hydroxyphenyl)methylsulfonyl]pyridine-3-carboxamide
CID 91937340
6-[2-(4-Methylsulfonyl-3-trifluoromethyl-phenyl)-3-(tetrahydro-pyran-2-yl)-propionylamino]-nicotinic acid methyl ester
CID 10029454
6-[2-(4-Methylsulfonyl-3-trifluoromethyl-phenyl)-3-(tetrahydro-pyran-2-yl)-propionylamino]-nicotinic acid
CID 10255417
N-(5-hydroxymethyl-pyridin-2-yl)-2-(4-methanesulfonyl-3-trifluoromethyl-phenyl)-3-(tetrahydro-pyran-2-yl)-propionamide
CID 10323129
1-[6-(4-{[4'-Fluoro-4-(methylsulfonyl)-2-biphenylyl]carbonyl}-1-piperazinyl)-3-pyridinyl]ethanol
CID 11854553
6-[[3-Cyclopentyl-2-[4-(trifluoromethylsulfonyl)phenyl]propanoyl]amino]pyridine-3-carboxylic acid
CID 22315074
5-[2,6-Difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 25123484
5-[2,6-Difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(5-methylsulfonyl-2-pyridinyl)amino]thiophene-3-carboxamide
CID 25128122
(E)-3-[(3R,4S)-3,4-difluorocyclopentyl]-N-[5-(hydroxymethyl)-2-pyridinyl]-2-(4-methylsulfonylphenyl)prop-2-enamide
CID 44479828

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[5-[1-hydroxy-1-(4-methylsulfonylphenyl)propyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-[5-[1-hydroxy-1-(4-methylsulfonylphenyl)propyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide (CID 71010089) is 5-fluoro-N-[5-[1-hydroxy-1-(4-methylsulfonylphenyl)propyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-[5-[1-hydroxy-1-(4-methylsulfonylphenyl)propyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-[5-[1-hydroxy-1-(4-methylsulfonylphenyl)propyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide is CCC(O)(c1ccc(S(C)(=O)=O)cc1)c1ccc(NC(=O)c2cncc(F)c2C)nc1.
What is the InChIKey of 5-fluoro-N-[5-[1-hydroxy-1-(4-methylsulfonylphenyl)propyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The InChIKey is NRZFTRYXCGQGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O4S/c1-4-22(28,15-5-8-17(9-6-15)31(3,29)30)16-7-10-20(25-11-16)26-21(27)18-12-24-13-19(23)14(18)2/h5-13,28H,4H2,1-3H3,(H,25,26,27).
What are the key properties of 5-fluoro-N-[5-[1-hydroxy-1-(4-methylsulfonylphenyl)propyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
5-fluoro-N-[5-[1-hydroxy-1-(4-methylsulfonylphenyl)propyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide has a molecular weight of 443.50 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[5-[1-hydroxy-1-(4-methylsulfonylphenyl)propyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 71010089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).