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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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).