2-[[6-(2-fluoro-5-methoxyphenyl)-4-methyl-3-pyridinyl]amino]-5-methylbenzoic acid

C21H19FN2O3 — CID 25187850

IUPAC2-[[6-(2-fluoro-5-methoxyphenyl)-4-methyl-3-pyridinyl]amino]-5-methylbenzoic acid
SMILESCOc1ccc(F)c(-c2cc(C)c(Nc3ccc(C)cc3C(=O)O)cn2)c1
InChIInChI=1S/C21H19FN2O3/c1-12-4-7-18(16(8-12)21(25)26)24-20-11-23-19(9-13(20)2)15-10-14(27-3)5-6-17(15)22/h4-11,24H,1-3H3,(H,25,26)
InChIKeyJPHAXEBDDCHOLV-UHFFFAOYSA-N
MW366.39 g/mol
LogP4.95
Rot. Bonds5

About 2-[[6-(2-fluoro-5-methoxyphenyl)-4-methyl-3-pyridinyl]amino]-5-methylbenzoic acid

2-[[6-(2-fluoro-5-methoxyphenyl)-4-methyl-3-pyridinyl]amino]-5-methylbenzoic acid (PubChem CID 25187850) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is 2-[[6-(2-fluoro-5-methoxyphenyl)-4-methyl-3-pyridinyl]amino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[[6-(2-fluoro-5-methoxyphenyl)-4-methyl-3-pyridinyl]amino]-5-methylbenzoic acid
PubChem CID25187850
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC Name2-[[6-(2-fluoro-5-methoxyphenyl)-4-methyl-3-pyridinyl]amino]-5-methylbenzoic acid
SMILESCOc1ccc(F)c(-c2cc(C)c(Nc3ccc(C)cc3C(=O)O)cn2)c1
InChIInChI=1S/C21H19FN2O3/c1-12-4-7-18(16(8-12)21(25)26)24-20-11-23-19(9-13(20)2)15-10-14(27-3)5-6-17(15)22/h4-11,24H,1-3H3,(H,25,26)
InChIKeyJPHAXEBDDCHOLV-UHFFFAOYSA-N
XLogP4.95
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[6-(2-fluoro-5-methoxyphenyl)-4-methyl-3-pyridinyl]amino]-5-methylbenzoic acid with MolForge

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Related Compounds

Aminopyridine N-oxide, 44
CID 24745605
3-({[(1r)-6-Methoxy-1,2,3,4-Tetrahydronaphthalen-1-Yl]methyl}amino)pyridine-4-Carboxylic Acid
CID 90253505
(3-Phenoxybenzoylamino)benzoic acid deriv., 24b
CID 11464013
3-(4-hydroxyphenyl)-N-(6-methoxypyridin-3-yl)benzamide
CID 2463899
6-hydroxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridyl]-1H-quinolin-4-one
CID 67616129
3-[(6-Phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid
CID 90253472
2-{[3-(Ethoxycarbonyl)-6-methoxyquinolin-4-yl]amino}benzoic acid
CID 1043574
2-[[3-Ethoxycarbonyl-6-(trifluoromethoxy)quinolin-4-yl]amino]benzoic acid
CID 1043578
2-[3-(Pyridin-4-yloxy)benzoylamino]benzoic acid
CID 11209825
8-Fluoro-1-[[5-(3-methoxyphenyl)-2-pyridinyl]methyl]-4-oxoquinoline-3-carboxylic acid
CID 46224983
2-[6-(3-methoxyphenyl)-3-pyridyl]-3-methyl-1H-quinolin-4-one
CID 70687937
3-[[(1R)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid
CID 145976182

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2-fluoro-5-methoxyphenyl)-4-methyl-3-pyridinyl]amino]-5-methylbenzoic acid?
The IUPAC name of 2-[[6-(2-fluoro-5-methoxyphenyl)-4-methyl-3-pyridinyl]amino]-5-methylbenzoic acid (CID 25187850) is 2-[[6-(2-fluoro-5-methoxyphenyl)-4-methyl-3-pyridinyl]amino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[[6-(2-fluoro-5-methoxyphenyl)-4-methyl-3-pyridinyl]amino]-5-methylbenzoic acid?
The canonical SMILES for 2-[[6-(2-fluoro-5-methoxyphenyl)-4-methyl-3-pyridinyl]amino]-5-methylbenzoic acid is COc1ccc(F)c(-c2cc(C)c(Nc3ccc(C)cc3C(=O)O)cn2)c1.
What is the InChIKey of 2-[[6-(2-fluoro-5-methoxyphenyl)-4-methyl-3-pyridinyl]amino]-5-methylbenzoic acid?
The InChIKey is JPHAXEBDDCHOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3/c1-12-4-7-18(16(8-12)21(25)26)24-20-11-23-19(9-13(20)2)15-10-14(27-3)5-6-17(15)22/h4-11,24H,1-3H3,(H,25,26).
What are the key properties of 2-[[6-(2-fluoro-5-methoxyphenyl)-4-methyl-3-pyridinyl]amino]-5-methylbenzoic acid?
2-[[6-(2-fluoro-5-methoxyphenyl)-4-methyl-3-pyridinyl]amino]-5-methylbenzoic acid has a molecular weight of 366.39 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2-fluoro-5-methoxyphenyl)-4-methyl-3-pyridinyl]amino]-5-methylbenzoic acid is sourced from PubChem (CID 25187850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).