3-azido-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide

C11H9F3N6O2 — CID 137405477

IUPAC3-azido-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide
SMILESCC(O)(CN=[N+]=[N-])C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C11H9F3N6O2/c1-10(22,5-18-20-16)9(21)19-6-2-7(11(12,13)14)8(3-15)17-4-6/h2,4,22H,5H2,1H3,(H,19,21)
InChIKeyJXCMBYDSLDVYNT-UHFFFAOYSA-N
MW314.23 g/mol
LogP1.97
Rot. Bonds4

About 3-azido-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide

3-azido-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide (PubChem CID 137405477) has the molecular formula C11H9F3N6O2 and a molecular weight of 314.23 g/mol. Its IUPAC name is 3-azido-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name3-azido-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide
PubChem CID137405477
Molecular FormulaC11H9F3N6O2
Molecular Weight314.23 g/mol
Exact Mass314.07
IUPAC Name3-azido-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide
SMILESCC(O)(CN=[N+]=[N-])C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C11H9F3N6O2/c1-10(22,5-18-20-16)9(21)19-6-2-7(11(12,13)14)8(3-15)17-4-6/h2,4,22H,5H2,1H3,(H,19,21)
InChIKeyJXCMBYDSLDVYNT-UHFFFAOYSA-N
XLogP1.97
TPSA134.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methyl-3-(4-methylphenyl)sulfonylpropanamide
CID 118614924
3-(3-bromo-4-cyanopyrazol-1-yl)-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide
CID 146315099
N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(3,5-difluoroindazol-1-yl)-2-hydroxy-2-methylpropanamide
CID 138611575
N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(5-fluoro-3-methylindazol-1-yl)-2-hydroxy-2-methylpropanamide
CID 175373793
(2S)-3-[3-chloro-4-(trifluoromethyl)indazol-1-yl]-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide
CID 156841942
(2S)-3-(3-chloro-5-fluoroindazol-1-yl)-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide
CID 156841929
(2S)-3-amino-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxypropanamide
CID 153366038
N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-(phosphanylamino)pentanamide
CID 137445272
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(4-methylphenoxy)propanamide
CID 71022253
(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylbutanamide
CID 130331138
5-[(4-methoxyphenyl)methylamino]-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 25020034
3-(4-chlorophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
CID 67311921

Frequently Asked Questions

What is the IUPAC name of 3-azido-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide?
The IUPAC name of 3-azido-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide (CID 137405477) is 3-azido-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for 3-azido-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide?
The canonical SMILES for 3-azido-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide is CC(O)(CN=[N+]=[N-])C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1.
What is the InChIKey of 3-azido-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide?
The InChIKey is JXCMBYDSLDVYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N6O2/c1-10(22,5-18-20-16)9(21)19-6-2-7(11(12,13)14)8(3-15)17-4-6/h2,4,22H,5H2,1H3,(H,19,21).
What are the key properties of 3-azido-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide?
3-azido-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide has a molecular weight of 314.23 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 137405477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).