2-[[6-(3-methoxyphenyl)-5-phenyl-3-pyridinyl]amino]-5-methylbenzoic acid

C26H22N2O3 — CID 46847512

IUPAC2-[[6-(3-methoxyphenyl)-5-phenyl-3-pyridinyl]amino]-5-methylbenzoic acid
SMILESCOc1cccc(-c2ncc(Nc3ccc(C)cc3C(=O)O)cc2-c2ccccc2)c1
InChIInChI=1S/C26H22N2O3/c1-17-11-12-24(23(13-17)26(29)30)28-20-15-22(18-7-4-3-5-8-18)25(27-16-20)19-9-6-10-21(14-19)31-2/h3-16,28H,1-2H3,(H,29,30)
InChIKeyRKIWZMFNTIRCRI-UHFFFAOYSA-N
MW410.47 g/mol
LogP6.17
Rot. Bonds6

About 2-[[6-(3-methoxyphenyl)-5-phenyl-3-pyridinyl]amino]-5-methylbenzoic acid

2-[[6-(3-methoxyphenyl)-5-phenyl-3-pyridinyl]amino]-5-methylbenzoic acid (PubChem CID 46847512) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is 2-[[6-(3-methoxyphenyl)-5-phenyl-3-pyridinyl]amino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[[6-(3-methoxyphenyl)-5-phenyl-3-pyridinyl]amino]-5-methylbenzoic acid
PubChem CID46847512
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC Name2-[[6-(3-methoxyphenyl)-5-phenyl-3-pyridinyl]amino]-5-methylbenzoic acid
SMILESCOc1cccc(-c2ncc(Nc3ccc(C)cc3C(=O)O)cc2-c2ccccc2)c1
InChIInChI=1S/C26H22N2O3/c1-17-11-12-24(23(13-17)26(29)30)28-20-15-22(18-7-4-3-5-8-18)25(27-16-20)19-9-6-10-21(14-19)31-2/h3-16,28H,1-2H3,(H,29,30)
InChIKeyRKIWZMFNTIRCRI-UHFFFAOYSA-N
XLogP6.17
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[6-(3-methoxyphenyl)-5-(2,2,2-trifluoroethyl)-3-pyridinyl]amino]-5-methylbenzoic acid
CID 142788108
2-[(5-fluoro-6-phenyl-3-pyridinyl)amino]-5-methylbenzoic acid
CID 25186450
2-(3-methoxyphenyl)-3,5-diphenylpyridine
CID 57041799
2-[(5-chloro-2-phenyl-3-pyridinyl)amino]-5-methylbenzoic acid
CID 46847428
2-[3-(2-carboxy-4-methylanilino)anilino]-5-methylbenzoic acid
CID 10785748
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
ethyl 2-[[6-(2-fluoro-5-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoate;2-[[6-(2-fluorophenyl)-3-pyridinyl]amino]-5-methylbenzoic acid
CID 159575166
2-[[6-(4-carbamoylphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid
CID 57479024
5-methyl-2-(3-methylanilino)benzoic acid
CID 19749262
2-[[6-(3-methoxyphenyl)-5-(trifluoromethyl)-3-pyridinyl]methyl]-5-methylbenzoic acid
CID 58415896
tert-butyl 2-[[6-(3-cyclopropyloxyphenyl)-5-ethyl-3-pyridinyl]amino]-5-methylbenzoate
CID 142788115
[2-[[6-(2-fluorophenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoyl] 2-[[6-(3-chlorophenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoate
CID 87441041

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(3-methoxyphenyl)-5-phenyl-3-pyridinyl]amino]-5-methylbenzoic acid?
The IUPAC name of 2-[[6-(3-methoxyphenyl)-5-phenyl-3-pyridinyl]amino]-5-methylbenzoic acid (CID 46847512) is 2-[[6-(3-methoxyphenyl)-5-phenyl-3-pyridinyl]amino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[[6-(3-methoxyphenyl)-5-phenyl-3-pyridinyl]amino]-5-methylbenzoic acid?
The canonical SMILES for 2-[[6-(3-methoxyphenyl)-5-phenyl-3-pyridinyl]amino]-5-methylbenzoic acid is COc1cccc(-c2ncc(Nc3ccc(C)cc3C(=O)O)cc2-c2ccccc2)c1.
What is the InChIKey of 2-[[6-(3-methoxyphenyl)-5-phenyl-3-pyridinyl]amino]-5-methylbenzoic acid?
The InChIKey is RKIWZMFNTIRCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3/c1-17-11-12-24(23(13-17)26(29)30)28-20-15-22(18-7-4-3-5-8-18)25(27-16-20)19-9-6-10-21(14-19)31-2/h3-16,28H,1-2H3,(H,29,30).
What are the key properties of 2-[[6-(3-methoxyphenyl)-5-phenyl-3-pyridinyl]amino]-5-methylbenzoic acid?
2-[[6-(3-methoxyphenyl)-5-phenyl-3-pyridinyl]amino]-5-methylbenzoic acid has a molecular weight of 410.47 g/mol, XLogP of 6.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(3-methoxyphenyl)-5-phenyl-3-pyridinyl]amino]-5-methylbenzoic acid is sourced from PubChem (CID 46847512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).