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

C20H17ClN2O2 — CID 25188119

IUPAC2-[[6-(3-chlorophenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid
SMILESCc1ccc(Nc2cnc(-c3cccc(Cl)c3)c(C)c2)c(C(=O)O)c1
InChIInChI=1S/C20H17ClN2O2/c1-12-6-7-18(17(8-12)20(24)25)23-16-9-13(2)19(22-11-16)14-4-3-5-15(21)10-14/h3-11,23H,1-2H3,(H,24,25)
InChIKeyMFOQTMYYVDBCFB-UHFFFAOYSA-N
MW352.82 g/mol
LogP5.46
Rot. Bonds4

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

2-[[6-(3-chlorophenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid (PubChem CID 25188119) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is 2-[[6-(3-chlorophenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[[6-(3-chlorophenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid
PubChem CID25188119
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name2-[[6-(3-chlorophenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid
SMILESCc1ccc(Nc2cnc(-c3cccc(Cl)c3)c(C)c2)c(C(=O)O)c1
InChIInChI=1S/C20H17ClN2O2/c1-12-6-7-18(17(8-12)20(24)25)23-16-9-13(2)19(22-11-16)14-4-3-5-15(21)10-14/h3-11,23H,1-2H3,(H,24,25)
InChIKeyMFOQTMYYVDBCFB-UHFFFAOYSA-N
XLogP5.46
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.82
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 11566404
6-Chloro-8-quinolinecarboxylic acid
CID 165492
2-[[2,6-Bis(chloranyl)-4-pyridin-4-yl-phenyl]amino]benzoic acid
CID 147699393
2-[3-[[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]amino]phenyl]pyridine-3-carboxylic acid
CID 11495581
(R)-5-[3-[[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]amino]phenyl]-3-pyridinecarboxylic acid
CID 11661536
6-[4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]pyridine-3-carboxylic acid
CID 24823782
(10R,14S)-5-amino-14-[4-(3-chloro-2,6-difluorophenyl)-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaene-4-carboxylic acid
CID 90060514
3-[(4-Tert-butylbenzoyl)amino]-5-chloropyridine-2-carboxylic acid
CID 162643753
5-Chloro-2-([(2-oxo-2-([4-(pyridin-4-yl)phenyl]amino)ethoxy)acetyl]amino)benzoic acid
CID 44232523
Sodium 5-chloro-2-({[3-(pyridin-4-yl)phenyl]carbonyl}amino)benzoate
CID 66679802
Sodium 5-chloro-2-({[3-(quinolin-3-yl)phenyl]carbonyl}amino)benzoate
CID 66680639
Sodium 5-chloro-2-[(3-quinolin-8-ylbenzoyl)amino]benzoate
CID 66680788

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(3-chlorophenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid?
The IUPAC name of 2-[[6-(3-chlorophenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid (CID 25188119) is 2-[[6-(3-chlorophenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[[6-(3-chlorophenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid?
The canonical SMILES for 2-[[6-(3-chlorophenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid is Cc1ccc(Nc2cnc(-c3cccc(Cl)c3)c(C)c2)c(C(=O)O)c1.
What is the InChIKey of 2-[[6-(3-chlorophenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid?
The InChIKey is MFOQTMYYVDBCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c1-12-6-7-18(17(8-12)20(24)25)23-16-9-13(2)19(22-11-16)14-4-3-5-15(21)10-14/h3-11,23H,1-2H3,(H,24,25).
What are the key properties of 2-[[6-(3-chlorophenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid?
2-[[6-(3-chlorophenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid has a molecular weight of 352.82 g/mol, XLogP of 5.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(3-chlorophenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid is sourced from PubChem (CID 25188119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).