N-tert-butyl-4-[[2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxamide

C19H20F3N3O3 — CID 139347812

IUPACN-tert-butyl-4-[[2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(NC(=O)Cc2cc(C(F)(F)F)ccc2O)ccn1
InChIInChI=1S/C19H20F3N3O3/c1-18(2,3)25-17(28)14-10-13(6-7-23-14)24-16(27)9-11-8-12(19(20,21)22)4-5-15(11)26/h4-8,10,26H,9H2,1-3H3,(H,25,28)(H,23,24,27)
InChIKeyYZVLORSIDFYNME-UHFFFAOYSA-N
MW395.38 g/mol
LogP3.52
Rot. Bonds4

About N-tert-butyl-4-[[2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxamide

N-tert-butyl-4-[[2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxamide (PubChem CID 139347812) has the molecular formula C19H20F3N3O3 and a molecular weight of 395.38 g/mol. Its IUPAC name is N-tert-butyl-4-[[2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[[2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxamide
PubChem CID139347812
Molecular FormulaC19H20F3N3O3
Molecular Weight395.38 g/mol
Exact Mass395.15
IUPAC NameN-tert-butyl-4-[[2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(NC(=O)Cc2cc(C(F)(F)F)ccc2O)ccn1
InChIInChI=1S/C19H20F3N3O3/c1-18(2,3)25-17(28)14-10-13(6-7-23-14)24-16(27)9-11-8-12(19(20,21)22)4-5-15(11)26/h4-8,10,26H,9H2,1-3H3,(H,25,28)(H,23,24,27)
InChIKeyYZVLORSIDFYNME-UHFFFAOYSA-N
XLogP3.52
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-4-[[2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxamide with MolForge

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Related Compounds

GR-55562
CID 128018
US20200361871A1, Example 36
CID 139347764
4-{4-[3-(5-Carbamimidoyl-2-hydroxy-phenyl)-allylcarbamoyl]-phenyl}-pyridine-2-carboxylic acid amide
CID 135404951
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-pyridin-4-ylpropanamide
CID 24818296
Casein kinase 1|A-IN-10
CID 5442100
N-[1-[8-(3-Amino-propylamino)-octylcarbamoyl]-2-(4-hydroxy-phenyl)-ethyl]-isonicotinamide
CID 44368885
N-[1-[8-(3-aminopropylamino)octylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]pyridine-2-carboxamide
CID 44369248
N-{1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl}-N-(4-hydroxyphenyl)pyridine-2-carboxamide
CID 1078838
7-[2-(4-Hydroxy-3,5-dimethylphenyl)ethylamino]quinoline-5,8-dione
CID 57329288
2-hydroxy-N-(pyridin-4-yl)benzamide
CID 578630
US20200361871A1, Example 81.2
CID 139347709
US20200361871A1, Example 81.4
CID 139347719

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[[2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxamide?
The IUPAC name of N-tert-butyl-4-[[2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxamide (CID 139347812) is N-tert-butyl-4-[[2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[[2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxamide?
The canonical SMILES for N-tert-butyl-4-[[2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxamide is CC(C)(C)NC(=O)c1cc(NC(=O)Cc2cc(C(F)(F)F)ccc2O)ccn1.
What is the InChIKey of N-tert-butyl-4-[[2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxamide?
The InChIKey is YZVLORSIDFYNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O3/c1-18(2,3)25-17(28)14-10-13(6-7-23-14)24-16(27)9-11-8-12(19(20,21)22)4-5-15(11)26/h4-8,10,26H,9H2,1-3H3,(H,25,28)(H,23,24,27).
What are the key properties of N-tert-butyl-4-[[2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxamide?
N-tert-butyl-4-[[2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxamide has a molecular weight of 395.38 g/mol, XLogP of 3.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[[2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 139347812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).