2-[4-[(5-tert-butylpyridine-2-carbonyl)amino]-2-fluorophenyl]acetic acid

C18H19FN2O3 — CID 122109585

IUPAC2-[4-[(5-tert-butylpyridine-2-carbonyl)amino]-2-fluorophenyl]acetic acid
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(CC(=O)O)c(F)c2)nc1
InChIInChI=1S/C18H19FN2O3/c1-18(2,3)12-5-7-15(20-10-12)17(24)21-13-6-4-11(8-16(22)23)14(19)9-13/h4-7,9-10H,8H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyGTHFIUSMCIZQCJ-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.40
Rot. Bonds4

About 2-[4-[(5-tert-butylpyridine-2-carbonyl)amino]-2-fluorophenyl]acetic acid

2-[4-[(5-tert-butylpyridine-2-carbonyl)amino]-2-fluorophenyl]acetic acid (PubChem CID 122109585) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-[4-[(5-tert-butylpyridine-2-carbonyl)amino]-2-fluorophenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(5-tert-butylpyridine-2-carbonyl)amino]-2-fluorophenyl]acetic acid
PubChem CID122109585
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name2-[4-[(5-tert-butylpyridine-2-carbonyl)amino]-2-fluorophenyl]acetic acid
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(CC(=O)O)c(F)c2)nc1
InChIInChI=1S/C18H19FN2O3/c1-18(2,3)12-5-7-15(20-10-12)17(24)21-13-6-4-11(8-16(22)23)14(19)9-13/h4-7,9-10H,8H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyGTHFIUSMCIZQCJ-UHFFFAOYSA-N
XLogP3.40
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-fluoro-4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid
CID 122109787
N-(4-tert-butylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185555
2-[4-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]-2-fluorophenyl]acetic acid
CID 122109954
5-tert-butyl-N-hydroxypyridine-2-carboxamide
CID 155087996
5-[(4-tert-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684723
5-chloro-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide
CID 90238140
3-[(5-tert-butylpyridine-2-carbonyl)amino]butanoic acid
CID 122107646
N-(4-tert-butylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195848
2-[4-(butanoylamino)-2-fluorophenyl]acetic acid
CID 122110137
5-(tert-butylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide
CID 109195203
5-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 109200977
N-(4-hydroxy-3-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115751923

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-tert-butylpyridine-2-carbonyl)amino]-2-fluorophenyl]acetic acid?
The IUPAC name of 2-[4-[(5-tert-butylpyridine-2-carbonyl)amino]-2-fluorophenyl]acetic acid (CID 122109585) is 2-[4-[(5-tert-butylpyridine-2-carbonyl)amino]-2-fluorophenyl]acetic acid.
What is the SMILES notation for 2-[4-[(5-tert-butylpyridine-2-carbonyl)amino]-2-fluorophenyl]acetic acid?
The canonical SMILES for 2-[4-[(5-tert-butylpyridine-2-carbonyl)amino]-2-fluorophenyl]acetic acid is CC(C)(C)c1ccc(C(=O)Nc2ccc(CC(=O)O)c(F)c2)nc1.
What is the InChIKey of 2-[4-[(5-tert-butylpyridine-2-carbonyl)amino]-2-fluorophenyl]acetic acid?
The InChIKey is GTHFIUSMCIZQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-18(2,3)12-5-7-15(20-10-12)17(24)21-13-6-4-11(8-16(22)23)14(19)9-13/h4-7,9-10H,8H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 2-[4-[(5-tert-butylpyridine-2-carbonyl)amino]-2-fluorophenyl]acetic acid?
2-[4-[(5-tert-butylpyridine-2-carbonyl)amino]-2-fluorophenyl]acetic acid has a molecular weight of 330.36 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-tert-butylpyridine-2-carbonyl)amino]-2-fluorophenyl]acetic acid is sourced from PubChem (CID 122109585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).