5-methyl-2-(1-pyridin-3-ylethylamino)benzoic acid

C15H16N2O2 — CID 62514651

IUPAC5-methyl-2-(1-pyridin-3-ylethylamino)benzoic acid
SMILESCc1ccc(NC(C)c2cccnc2)c(C(=O)O)c1
InChIInChI=1S/C15H16N2O2/c1-10-5-6-14(13(8-10)15(18)19)17-11(2)12-4-3-7-16-9-12/h3-9,11,17H,1-2H3,(H,18,19)
InChIKeyFJSFUICXIGFUML-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.26
Rot. Bonds4

About 5-methyl-2-(1-pyridin-3-ylethylamino)benzoic acid

5-methyl-2-(1-pyridin-3-ylethylamino)benzoic acid (PubChem CID 62514651) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-methyl-2-(1-pyridin-3-ylethylamino)benzoic acid.

Molecular Properties

Compound Name5-methyl-2-(1-pyridin-3-ylethylamino)benzoic acid
PubChem CID62514651
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name5-methyl-2-(1-pyridin-3-ylethylamino)benzoic acid
SMILESCc1ccc(NC(C)c2cccnc2)c(C(=O)O)c1
InChIInChI=1S/C15H16N2O2/c1-10-5-6-14(13(8-10)15(18)19)17-11(2)12-4-3-7-16-9-12/h3-9,11,17H,1-2H3,(H,18,19)
InChIKeyFJSFUICXIGFUML-UHFFFAOYSA-N
XLogP3.26
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-(propan-2-ylamino)benzoic acid
CID 13064660
2-fluoro-4-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 79778156
N,2-dimethyl-3-(1-pyridin-3-ylethylamino)benzamide
CID 43734586
5-amino-3-chloro-2-(1-pyridin-3-ylethylamino)benzoic acid
CID 107193997
5-chloro-2-(1-pyridin-3-ylethylamino)benzenecarbothioamide
CID 55080089
3-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzamide
CID 82988367
5-methyl-2-(3-pyridin-3-ylpropanoylamino)benzoic acid
CID 43359065
3-(1-pyridin-3-ylethylamino)benzamide
CID 43202862
N-(2-chloro-4-methylphenyl)-3-(1-pyridin-3-ylethylamino)propanamide
CID 75515340
5-methyl-2-(1-pyridin-3-ylethylamino)-1,3-thiazole-4-carboxylic acid
CID 115423528
3-nitro-2-(1-pyridin-3-ylethylamino)benzoic acid
CID 115932167
2-(but-3-yn-2-ylamino)-5-methylbenzoic acid
CID 114417638

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1-pyridin-3-ylethylamino)benzoic acid?
The IUPAC name of 5-methyl-2-(1-pyridin-3-ylethylamino)benzoic acid (CID 62514651) is 5-methyl-2-(1-pyridin-3-ylethylamino)benzoic acid.
What is the SMILES notation for 5-methyl-2-(1-pyridin-3-ylethylamino)benzoic acid?
The canonical SMILES for 5-methyl-2-(1-pyridin-3-ylethylamino)benzoic acid is Cc1ccc(NC(C)c2cccnc2)c(C(=O)O)c1.
What is the InChIKey of 5-methyl-2-(1-pyridin-3-ylethylamino)benzoic acid?
The InChIKey is FJSFUICXIGFUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-5-6-14(13(8-10)15(18)19)17-11(2)12-4-3-7-16-9-12/h3-9,11,17H,1-2H3,(H,18,19).
What are the key properties of 5-methyl-2-(1-pyridin-3-ylethylamino)benzoic acid?
5-methyl-2-(1-pyridin-3-ylethylamino)benzoic acid has a molecular weight of 256.31 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1-pyridin-3-ylethylamino)benzoic acid is sourced from PubChem (CID 62514651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).