5-methyl-2-(2-pyridin-4-ylethylamino)benzoic acid

C15H16N2O2 — CID 62515343

IUPAC5-methyl-2-(2-pyridin-4-ylethylamino)benzoic acid
SMILESCc1ccc(NCCc2ccncc2)c(C(=O)O)c1
InChIInChI=1S/C15H16N2O2/c1-11-2-3-14(13(10-11)15(18)19)17-9-6-12-4-7-16-8-5-12/h2-5,7-8,10,17H,6,9H2,1H3,(H,18,19)
InChIKeyMPXATKUOSDYHGY-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.74
Rot. Bonds5

About 5-methyl-2-(2-pyridin-4-ylethylamino)benzoic acid

5-methyl-2-(2-pyridin-4-ylethylamino)benzoic acid (PubChem CID 62515343) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-methyl-2-(2-pyridin-4-ylethylamino)benzoic acid.

Molecular Properties

Compound Name5-methyl-2-(2-pyridin-4-ylethylamino)benzoic acid
PubChem CID62515343
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name5-methyl-2-(2-pyridin-4-ylethylamino)benzoic acid
SMILESCc1ccc(NCCc2ccncc2)c(C(=O)O)c1
InChIInChI=1S/C15H16N2O2/c1-11-2-3-14(13(10-11)15(18)19)17-9-6-12-4-7-16-8-5-12/h2-5,7-8,10,17H,6,9H2,1H3,(H,18,19)
InChIKeyMPXATKUOSDYHGY-UHFFFAOYSA-N
XLogP2.74
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-fluorophenyl)ethylamino]-5-methylbenzoic acid
CID 63528850
2-(butylamino)-5-methylbenzoic acid
CID 18802498
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CID 104762145
2-bromo-5-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 82757124
5-methyl-2-(3-methylbutylamino)benzoic acid
CID 18802499
5-methyl-2-[(4-methylphenyl)methylamino]benzoic acid
CID 62514277
5-methyl-2-(pyridine-4-carbonylamino)benzoic acid
CID 24701556
5-bromo-2-[2-(3-methylphenyl)ethylamino]benzoic acid
CID 114895477
2-[3-(ethylamino)propylamino]-5-methylbenzoic acid
CID 55082979
5-methyl-2-[[3-oxo-3-(propylamino)propyl]amino]benzoic acid
CID 62514840
2-methyl-4-(2-pyridin-4-ylethylamino)quinoline-6-carboxylic acid
CID 7137912
4-chloro-2-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 114255842

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-pyridin-4-ylethylamino)benzoic acid?
The IUPAC name of 5-methyl-2-(2-pyridin-4-ylethylamino)benzoic acid (CID 62515343) is 5-methyl-2-(2-pyridin-4-ylethylamino)benzoic acid.
What is the SMILES notation for 5-methyl-2-(2-pyridin-4-ylethylamino)benzoic acid?
The canonical SMILES for 5-methyl-2-(2-pyridin-4-ylethylamino)benzoic acid is Cc1ccc(NCCc2ccncc2)c(C(=O)O)c1.
What is the InChIKey of 5-methyl-2-(2-pyridin-4-ylethylamino)benzoic acid?
The InChIKey is MPXATKUOSDYHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11-2-3-14(13(10-11)15(18)19)17-9-6-12-4-7-16-8-5-12/h2-5,7-8,10,17H,6,9H2,1H3,(H,18,19).
What are the key properties of 5-methyl-2-(2-pyridin-4-ylethylamino)benzoic acid?
5-methyl-2-(2-pyridin-4-ylethylamino)benzoic acid has a molecular weight of 256.31 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-pyridin-4-ylethylamino)benzoic acid is sourced from PubChem (CID 62515343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).