2-[benzyl(methyl)amino]-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid

C20H18FN3O4S — CID 53024612

IUPAC2-[benzyl(methyl)amino]-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid
SMILESCN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2cccc(F)c2)cc1C(=O)O
InChIInChI=1S/C20H18FN3O4S/c1-24(13-14-6-3-2-4-7-14)19-18(20(25)26)11-16(12-22-19)23-29(27,28)17-9-5-8-15(21)10-17/h2-12,23H,13H2,1H3,(H,25,26)
InChIKeyAOCKZRFOLZGVPE-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.36
Rot. Bonds7

About 2-[benzyl(methyl)amino]-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid

2-[benzyl(methyl)amino]-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid (PubChem CID 53024612) has the molecular formula C20H18FN3O4S and a molecular weight of 415.45 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid
PubChem CID53024612
Molecular FormulaC20H18FN3O4S
Molecular Weight415.45 g/mol
Exact Mass415.10
IUPAC Name2-[benzyl(methyl)amino]-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid
SMILESCN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2cccc(F)c2)cc1C(=O)O
InChIInChI=1S/C20H18FN3O4S/c1-24(13-14-6-3-2-4-7-14)19-18(20(25)26)11-16(12-22-19)23-29(27,28)17-9-5-8-15(21)10-17/h2-12,23H,13H2,1H3,(H,25,26)
InChIKeyAOCKZRFOLZGVPE-UHFFFAOYSA-N
XLogP3.36
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(dimethylamino)-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 50766388
2-[benzyl(butyl)amino]-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054681
2-[benzyl(methyl)amino]-5-[(4-propan-2-ylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024608
5-[(3-fluorophenyl)sulfonylamino]-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid
CID 53024971
2-[benzyl(methyl)amino]-5-[(2,4,6-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53056639
2-[benzyl(methyl)amino]-5-[(4-propan-2-ylphenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054436
2-[benzyl(methyl)amino]-5-[(5-bromothiophen-2-yl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054439
2-[benzyl(ethyl)amino]-5-[(3-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054311
2-[benzyl(butyl)amino]-5-[(4-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054660
2-[benzyl(ethyl)amino]-5-[(4-ethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53001970
2-[benzyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53094025
5-amino-2-[benzyl(methyl)amino]pyridine-3-carboxylic acid
CID 82482899

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[benzyl(methyl)amino]-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid (CID 53024612) is 2-[benzyl(methyl)amino]-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[benzyl(methyl)amino]-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[benzyl(methyl)amino]-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid is CN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2cccc(F)c2)cc1C(=O)O.
What is the InChIKey of 2-[benzyl(methyl)amino]-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid?
The InChIKey is AOCKZRFOLZGVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O4S/c1-24(13-14-6-3-2-4-7-14)19-18(20(25)26)11-16(12-22-19)23-29(27,28)17-9-5-8-15(21)10-17/h2-12,23H,13H2,1H3,(H,25,26).
What are the key properties of 2-[benzyl(methyl)amino]-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid?
2-[benzyl(methyl)amino]-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid has a molecular weight of 415.45 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 53024612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).