5-cyclopropyl-2-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid

C22H19FN2O3 — CID 24988290

IUPAC5-cyclopropyl-2-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid
SMILESCOc1cccc(-c2ccc(Nc3ncc(C4CC4)cc3C(=O)O)c(F)c2)c1
InChIInChI=1S/C22H19FN2O3/c1-28-17-4-2-3-14(9-17)15-7-8-20(19(23)11-15)25-21-18(22(26)27)10-16(12-24-21)13-5-6-13/h2-4,7-13H,5-6H2,1H3,(H,24,25)(H,26,27)
InChIKeyLVIDZXKWJBBXKN-UHFFFAOYSA-N
MW378.40 g/mol
LogP5.22
Rot. Bonds6

About 5-cyclopropyl-2-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid

5-cyclopropyl-2-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid (PubChem CID 24988290) has the molecular formula C22H19FN2O3 and a molecular weight of 378.40 g/mol. Its IUPAC name is 5-cyclopropyl-2-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid
PubChem CID24988290
Molecular FormulaC22H19FN2O3
Molecular Weight378.40 g/mol
Exact Mass378.14
IUPAC Name5-cyclopropyl-2-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid
SMILESCOc1cccc(-c2ccc(Nc3ncc(C4CC4)cc3C(=O)O)c(F)c2)c1
InChIInChI=1S/C22H19FN2O3/c1-28-17-4-2-3-14(9-17)15-7-8-20(19(23)11-15)25-21-18(22(26)27)10-16(12-24-21)13-5-6-13/h2-4,7-13H,5-6H2,1H3,(H,24,25)(H,26,27)
InChIKeyLVIDZXKWJBBXKN-UHFFFAOYSA-N
XLogP5.22
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.40
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]-5-ethylpyridine-3-carboxylic acid;2-[2-fluoro-4-(3-methoxyphenyl)-5-methylanilino]-5-methylpyridine-3-carboxylic acid
CID 173114679
lithium 3-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-4-carboxylate
CID 24987185
5-cyclopropyl-2-[[1-methyl-7-[3-(trifluoromethoxy)phenyl]indol-5-yl]amino]pyridine-3-carboxylic acid
CID 90152726
methyl 3-[4-(3-cyclopropyloxyphenyl)-2-fluoroanilino]pyridine-4-carboxylate
CID 68763008
2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1,3-dicarboxylic acid
CID 22042535
2-[2-fluoro-4-[3-(2,2,2-trifluoroethoxy)phenyl]anilino]-6-methylpyridine-3-carboxylic acid
CID 67977368
2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid
CID 58075174
2-[2-fluoro-4-(2-fluoro-3-methoxyphenyl)anilino]pyridine-3-carboxylic acid
CID 24986465
2-[(7-bromo-1-methylindol-5-yl)amino]-5-cyclopropylpyridine-3-carboxylic acid;5-cyclopropyl-2-[[1-methyl-7-[3-(trifluoromethoxy)phenyl]indol-5-yl]amino]pyridine-3-carboxylic acid;ethane
CID 144618949
5-cyclopropyl-2-[[2-(2,6-difluoro-4-hydroxyphenyl)pyrimidin-5-yl]amino]benzoic acid;5-cyclopropyl-2-[(6-methoxy-5-phenyl-3-pyridinyl)amino]benzoic acid
CID 162119993
2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoic acid;5-cyclopropyl-2-[[6-(3-methoxyphenyl)-5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid
CID 159286301
3-[[2-fluoro-4-[3-(trideuteriomethoxy)phenyl]phenyl]carbamoyl]thiophene-2-carboxylic acid
CID 171736148

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid (CID 24988290) is 5-cyclopropyl-2-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid is COc1cccc(-c2ccc(Nc3ncc(C4CC4)cc3C(=O)O)c(F)c2)c1.
What is the InChIKey of 5-cyclopropyl-2-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid?
The InChIKey is LVIDZXKWJBBXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3/c1-28-17-4-2-3-14(9-17)15-7-8-20(19(23)11-15)25-21-18(22(26)27)10-16(12-24-21)13-5-6-13/h2-4,7-13H,5-6H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 5-cyclopropyl-2-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid?
5-cyclopropyl-2-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid has a molecular weight of 378.40 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid is sourced from PubChem (CID 24988290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).