2-amino-5-[2-chloro-4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;2-amino-5-[2-chloro-4-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;2-amino-5-[2-chloro-4-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;methyl thiohypofluorite

C70H66Cl3F7N12O9S — CID 167534126

IUPAC2-amino-5-[2-chloro-4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;2-amino-5-[2-chloro-4-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;2-amino-5-[2-chloro-4-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;methyl thiohypofluorite
SMILESCC(C)NC(=O)c1cc(-c2ccc(NC(=O)C(O)c3cc(F)cc(F)c3)cc2Cl)cnc1N.CC(C)NC(=O)c1cc(-c2ccc(NC(=O)[C@@H](O)c3cc(F)cc(F)c3)cc2Cl)cnc1N.CC(C)NC(=O)c1cc(-c2ccc(NC(=O)[C@H](O)c3cc(F)cc(F)c3)cc2Cl)cnc1N.CSF
InChIInChI=1S/3C23H21ClF2N4O3.CH3FS/c3*1-11(2)29-22(32)18-7-13(10-28-21(18)27)17-4-3-16(9-19(17)24)30-23(33)20(31)12-5-14(25)8-15(26)6-12;1-3-2/h3*3-11,20,31H,1-2H3,(H2,27,28)(H,29,32)(H,30,33);1H3/t2*20-;;/m10../s1
InChIKeyAIVRTWWQXBIQFG-FCXQHQNUSA-N
MW1490.78 g/mol
LogP13.45
Rot. Bonds18

About 2-amino-5-[2-chloro-4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;2-amino-5-[2-chloro-4-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;2-amino-5-[2-chloro-4-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;methyl thiohypofluorite

2-amino-5-[2-chloro-4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;2-amino-5-[2-chloro-4-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;2-amino-5-[2-chloro-4-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;methyl thiohypofluorite (PubChem CID 167534126) has the molecular formula C70H66Cl3F7N12O9S and a molecular weight of 1490.78 g/mol. Its IUPAC name is 2-amino-5-[2-chloro-4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;2-amino-5-[2-chloro-4-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;2-amino-5-[2-chloro-4-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;methyl thiohypofluorite.

Molecular Properties

Compound Name2-amino-5-[2-chloro-4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;2-amino-5-[2-chloro-4-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;2-amino-5-[2-chloro-4-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;methyl thiohypofluorite
PubChem CID167534126
Molecular FormulaC70H66Cl3F7N12O9S
Molecular Weight1490.78 g/mol
Exact Mass1488.38
IUPAC Name2-amino-5-[2-chloro-4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;2-amino-5-[2-chloro-4-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;2-amino-5-[2-chloro-4-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;methyl thiohypofluorite
SMILESCC(C)NC(=O)c1cc(-c2ccc(NC(=O)C(O)c3cc(F)cc(F)c3)cc2Cl)cnc1N.CC(C)NC(=O)c1cc(-c2ccc(NC(=O)[C@@H](O)c3cc(F)cc(F)c3)cc2Cl)cnc1N.CC(C)NC(=O)c1cc(-c2ccc(NC(=O)[C@H](O)c3cc(F)cc(F)c3)cc2Cl)cnc1N.CSF
InChIInChI=1S/3C23H21ClF2N4O3.CH3FS/c3*1-11(2)29-22(32)18-7-13(10-28-21(18)27)17-4-3-16(9-19(17)24)30-23(33)20(31)12-5-14(25)8-15(26)6-12;1-3-2/h3*3-11,20,31H,1-2H3,(H2,27,28)(H,29,32)(H,30,33);1H3/t2*20-;;/m10../s1
InChIKeyAIVRTWWQXBIQFG-FCXQHQNUSA-N
XLogP13.45
TPSA352.02 Ų
H-Bond Donors12
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001490.78
LogP ≤ 513.45
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1016

Analyze 2-amino-5-[2-chloro-4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;2-amino-5-[2-chloro-4-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;2-amino-5-[2-chloro-4-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;methyl thiohypofluorite with MolForge

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Related Compounds

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2-(3,5-difluorophenyl)-2-hydroxy-N-[3-methyl-4-[5-(3-methylbutanoyl)-3-pyridinyl]phenyl]acetamide
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(2S)-2-amino-N-(3-chloro-4-methylsulfanylphenyl)propanamide
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CID 22690595
N-[1-(4-chloroanilino)-1-oxopropan-2-yl]-3,5-difluorobenzamide
CID 42960816
2-chloro-5-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 103891263
4-[[(2S)-2-aminopropanoyl]amino]-2-methyl-N-propan-2-ylbenzamide
CID 119321678
2-amino-N-(2-chloro-6-methylphenyl)-5-(3-fluorophenyl)pyridine-3-carboxamide
CID 155552021
(2S)-N-[4-[8-amino-5-methyl-3-(trideuteriomethyl)imidazo[1,5-a]pyrazin-1-yl]-3-methylphenyl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetamide
CID 156646373
N-[4-[8-amino-5-fluoro-3-(trihydroxymethyl)imidazo[1,5-a]pyrazin-1-yl]-3-fluorophenyl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetamide
CID 156646443
2-chloro-5-methylsulfanyl-N-propan-2-ylbenzamide
CID 4806698

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-chloro-4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;2-amino-5-[2-chloro-4-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;2-amino-5-[2-chloro-4-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;methyl thiohypofluorite?
The IUPAC name of 2-amino-5-[2-chloro-4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;2-amino-5-[2-chloro-4-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;2-amino-5-[2-chloro-4-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;methyl thiohypofluorite (CID 167534126) is 2-amino-5-[2-chloro-4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;2-amino-5-[2-chloro-4-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;2-amino-5-[2-chloro-4-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;methyl thiohypofluorite.
What is the SMILES notation for 2-amino-5-[2-chloro-4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;2-amino-5-[2-chloro-4-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;2-amino-5-[2-chloro-4-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;methyl thiohypofluorite?
The canonical SMILES for 2-amino-5-[2-chloro-4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;2-amino-5-[2-chloro-4-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;2-amino-5-[2-chloro-4-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;methyl thiohypofluorite is CC(C)NC(=O)c1cc(-c2ccc(NC(=O)C(O)c3cc(F)cc(F)c3)cc2Cl)cnc1N.CC(C)NC(=O)c1cc(-c2ccc(NC(=O)[C@@H](O)c3cc(F)cc(F)c3)cc2Cl)cnc1N.CC(C)NC(=O)c1cc(-c2ccc(NC(=O)[C@H](O)c3cc(F)cc(F)c3)cc2Cl)cnc1N.CSF.
What is the InChIKey of 2-amino-5-[2-chloro-4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;2-amino-5-[2-chloro-4-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;2-amino-5-[2-chloro-4-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;methyl thiohypofluorite?
The InChIKey is AIVRTWWQXBIQFG-FCXQHQNUSA-N. The full InChI is InChI=1S/3C23H21ClF2N4O3.CH3FS/c3*1-11(2)29-22(32)18-7-13(10-28-21(18)27)17-4-3-16(9-19(17)24)30-23(33)20(31)12-5-14(25)8-15(26)6-12;1-3-2/h3*3-11,20,31H,1-2H3,(H2,27,28)(H,29,32)(H,30,33);1H3/t2*20-;;/m10../s1.
What are the key properties of 2-amino-5-[2-chloro-4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;2-amino-5-[2-chloro-4-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;2-amino-5-[2-chloro-4-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;methyl thiohypofluorite?
2-amino-5-[2-chloro-4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;2-amino-5-[2-chloro-4-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;2-amino-5-[2-chloro-4-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;methyl thiohypofluorite has a molecular weight of 1490.78 g/mol, XLogP of 13.45, 18 rotatable bonds, 12 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-chloro-4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;2-amino-5-[2-chloro-4-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;2-amino-5-[2-chloro-4-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;methyl thiohypofluorite is sourced from PubChem (CID 167534126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).