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

C21H20N2O3 — CID 25187570

IUPAC2-[[6-(3-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid
SMILESCOc1cccc(-c2ncc(Nc3ccc(C)cc3C(=O)O)cc2C)c1
InChIInChI=1S/C21H20N2O3/c1-13-7-8-19(18(9-13)21(24)25)23-16-10-14(2)20(22-12-16)15-5-4-6-17(11-15)26-3/h4-12,23H,1-3H3,(H,24,25)
InChIKeyXEPKGLUNXDVLPU-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.82
Rot. Bonds5

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

2-[[6-(3-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid (PubChem CID 25187570) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[[6-(3-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[[6-(3-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid
PubChem CID25187570
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name2-[[6-(3-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid
SMILESCOc1cccc(-c2ncc(Nc3ccc(C)cc3C(=O)O)cc2C)c1
InChIInChI=1S/C21H20N2O3/c1-13-7-8-19(18(9-13)21(24)25)23-16-10-14(2)20(22-12-16)15-5-4-6-17(11-15)26-3/h4-12,23H,1-3H3,(H,24,25)
InChIKeyXEPKGLUNXDVLPU-UHFFFAOYSA-N
XLogP4.82
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-[(2-aminoethyl)amino]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(pyridin-4-yl)benzamide
CID 134823957
2-[5-[2-(3-Methoxyphenyl)ethanoylamino]-2-Oxidanyl-Phenyl]pyridine-4-Carboxylic Acid
CID 135567042
3-(4-hydroxyphenyl)-N-(6-methoxypyridin-3-yl)benzamide
CID 2463899
2-(2-(2,6-Diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-ylamino)benzoic acid
CID 25192488
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-(Pyridin-4-yloxy)benzoylamino]benzoic acid
CID 11209825
6-Methoxyquinoline-3-carboxylic acid
CID 14241502
3-[(4-Methoxybenzyl)amino]pyridine-4-carboxylic acid
CID 59699608
(2S)-2-(2-benzoylanilino)-3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoic acid
CID 10648889

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(3-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid?
The IUPAC name of 2-[[6-(3-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid (CID 25187570) is 2-[[6-(3-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[[6-(3-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid?
The canonical SMILES for 2-[[6-(3-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid is COc1cccc(-c2ncc(Nc3ccc(C)cc3C(=O)O)cc2C)c1.
What is the InChIKey of 2-[[6-(3-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid?
The InChIKey is XEPKGLUNXDVLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-13-7-8-19(18(9-13)21(24)25)23-16-10-14(2)20(22-12-16)15-5-4-6-17(11-15)26-3/h4-12,23H,1-3H3,(H,24,25).
What are the key properties of 2-[[6-(3-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid?
2-[[6-(3-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid has a molecular weight of 348.40 g/mol, XLogP of 4.82, 5 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-methyl-3-pyridinyl]amino]-5-methylbenzoic acid is sourced from PubChem (CID 25187570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).