4-[[2-(4-tert-butyl-2-fluoro-5-hydroxyphenyl)acetyl]amino]pyridine-2-carboxylic acid

C18H19FN2O4 — CID 155588632

IUPAC4-[[2-(4-tert-butyl-2-fluoro-5-hydroxyphenyl)acetyl]amino]pyridine-2-carboxylic acid
SMILESCC(C)(C)c1cc(F)c(CC(=O)Nc2ccnc(C(=O)O)c2)cc1O
InChIInChI=1S/C18H19FN2O4/c1-18(2,3)12-9-13(19)10(6-15(12)22)7-16(23)21-11-4-5-20-14(8-11)17(24)25/h4-6,8-9,22H,7H2,1-3H3,(H,24,25)(H,20,21,23)
InChIKeyBJAXKHSLHLXFGZ-UHFFFAOYSA-N
MW346.36 g/mol
LogP3.10
Rot. Bonds4

About 4-[[2-(4-tert-butyl-2-fluoro-5-hydroxyphenyl)acetyl]amino]pyridine-2-carboxylic acid

4-[[2-(4-tert-butyl-2-fluoro-5-hydroxyphenyl)acetyl]amino]pyridine-2-carboxylic acid (PubChem CID 155588632) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is 4-[[2-(4-tert-butyl-2-fluoro-5-hydroxyphenyl)acetyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(4-tert-butyl-2-fluoro-5-hydroxyphenyl)acetyl]amino]pyridine-2-carboxylic acid
PubChem CID155588632
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC Name4-[[2-(4-tert-butyl-2-fluoro-5-hydroxyphenyl)acetyl]amino]pyridine-2-carboxylic acid
SMILESCC(C)(C)c1cc(F)c(CC(=O)Nc2ccnc(C(=O)O)c2)cc1O
InChIInChI=1S/C18H19FN2O4/c1-18(2,3)12-9-13(19)10(6-15(12)22)7-16(23)21-11-4-5-20-14(8-11)17(24)25/h4-6,8-9,22H,7H2,1-3H3,(H,24,25)(H,20,21,23)
InChIKeyBJAXKHSLHLXFGZ-UHFFFAOYSA-N
XLogP3.10
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[2-deuterio-6-fluoro-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-3-hydroxyphenyl]acetyl]amino]pyridine-2-carboxylic acid
CID 164521183
4-[[2-(4-tert-butyl-2-fluoro-5-hydroxyphenyl)acetyl]amino]-N-[(1R)-1-cyanoethyl]pyridine-2-carboxamide
CID 155588668
N-tert-butyl-4-[[2-[4-(2-cyanopropan-2-yl)-2-fluoro-5-hydroxyphenyl]acetyl]amino]pyridine-2-carboxamide
CID 155588543
N-(4-cyanooxan-4-yl)-4-[[2-[2-fluoro-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]acetyl]amino]pyridine-2-carboxamide
CID 155588575
4-[[2-(4-tert-butyl-2-chloro-5-hydroxyphenyl)acetyl]amino]-N-(1-cyanocyclopropyl)pyridine-2-carboxamide
CID 155588572
N-tert-butyl-4-[[2-(4-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 139348454
4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]pyridine-2-carboxylic acid
CID 63651197
methyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]pyridine-2-carboxylate
CID 139348053
2-[2-fluoro-5-hydroxy-4-(1,1,1-trifluoro-3-hydroxypropan-2-yl)phenyl]-N-[2-[2-(trifluoromethyl)pyrrolidine-1-carbonyl]-4-pyridinyl]acetamide
CID 155588560
4-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylic acid
CID 63651413
4-[[2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetyl]amino]-N-(2-methylbut-3-yn-2-yl)pyridine-2-carboxamide
CID 139348232
4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-(2-methylpentan-2-yl)pyridine-2-carboxamide
CID 139347713

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-tert-butyl-2-fluoro-5-hydroxyphenyl)acetyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[[2-(4-tert-butyl-2-fluoro-5-hydroxyphenyl)acetyl]amino]pyridine-2-carboxylic acid (CID 155588632) is 4-[[2-(4-tert-butyl-2-fluoro-5-hydroxyphenyl)acetyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[[2-(4-tert-butyl-2-fluoro-5-hydroxyphenyl)acetyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[[2-(4-tert-butyl-2-fluoro-5-hydroxyphenyl)acetyl]amino]pyridine-2-carboxylic acid is CC(C)(C)c1cc(F)c(CC(=O)Nc2ccnc(C(=O)O)c2)cc1O.
What is the InChIKey of 4-[[2-(4-tert-butyl-2-fluoro-5-hydroxyphenyl)acetyl]amino]pyridine-2-carboxylic acid?
The InChIKey is BJAXKHSLHLXFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4/c1-18(2,3)12-9-13(19)10(6-15(12)22)7-16(23)21-11-4-5-20-14(8-11)17(24)25/h4-6,8-9,22H,7H2,1-3H3,(H,24,25)(H,20,21,23).
What are the key properties of 4-[[2-(4-tert-butyl-2-fluoro-5-hydroxyphenyl)acetyl]amino]pyridine-2-carboxylic acid?
4-[[2-(4-tert-butyl-2-fluoro-5-hydroxyphenyl)acetyl]amino]pyridine-2-carboxylic acid has a molecular weight of 346.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-tert-butyl-2-fluoro-5-hydroxyphenyl)acetyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 155588632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).