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

C15H16N2O2 — CID 107111886

IUPAC3-methyl-2-(1-pyridin-2-ylethylamino)benzoic acid
SMILESCc1cccc(C(=O)O)c1NC(C)c1ccccn1
InChIInChI=1S/C15H16N2O2/c1-10-6-5-7-12(15(18)19)14(10)17-11(2)13-8-3-4-9-16-13/h3-9,11,17H,1-2H3,(H,18,19)
InChIKeyUKIIQHXWUZDEBY-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.26
Rot. Bonds4

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

3-methyl-2-(1-pyridin-2-ylethylamino)benzoic acid (PubChem CID 107111886) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-methyl-2-(1-pyridin-2-ylethylamino)benzoic acid.

Molecular Properties

Compound Name3-methyl-2-(1-pyridin-2-ylethylamino)benzoic acid
PubChem CID107111886
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name3-methyl-2-(1-pyridin-2-ylethylamino)benzoic acid
SMILESCc1cccc(C(=O)O)c1NC(C)c1ccccn1
InChIInChI=1S/C15H16N2O2/c1-10-6-5-7-12(15(18)19)14(10)17-11(2)13-8-3-4-9-16-13/h3-9,11,17H,1-2H3,(H,18,19)
InChIKeyUKIIQHXWUZDEBY-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

2-methyl-6-propan-2-yl-N-(1-pyridin-2-ylethyl)aniline
CID 139459217
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbenzoic acid
CID 107111939
2,4-difluoro-5-(1-pyridin-2-ylethylamino)benzoic acid
CID 43737120
2,3-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43196433
2-[(1-pyridin-2-ylethylamino)methyl]pyridine-3-carboxylic acid
CID 114198630
3-hydroxy-2-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 82829719
1-(2,3-dimethylphenyl)-2-pyridin-2-ylpropan-1-one
CID 66448942
N-[(1R)-1-pyridin-2-ylethyl]hydroxylamine
CID 51441798
5-(1-pyridin-2-ylethylamino)-1,3-thiazole-4-carboxylic acid
CID 64628864
3-chloro-4-(1-pyridin-2-ylethylamino)benzoic acid
CID 63086633
3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid
CID 62340624
N-[3-(1-pyridin-2-ylethylamino)phenyl]acetamide
CID 43193722

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(1-pyridin-2-ylethylamino)benzoic acid?
The IUPAC name of 3-methyl-2-(1-pyridin-2-ylethylamino)benzoic acid (CID 107111886) is 3-methyl-2-(1-pyridin-2-ylethylamino)benzoic acid.
What is the SMILES notation for 3-methyl-2-(1-pyridin-2-ylethylamino)benzoic acid?
The canonical SMILES for 3-methyl-2-(1-pyridin-2-ylethylamino)benzoic acid is Cc1cccc(C(=O)O)c1NC(C)c1ccccn1.
What is the InChIKey of 3-methyl-2-(1-pyridin-2-ylethylamino)benzoic acid?
The InChIKey is UKIIQHXWUZDEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-6-5-7-12(15(18)19)14(10)17-11(2)13-8-3-4-9-16-13/h3-9,11,17H,1-2H3,(H,18,19).
What are the key properties of 3-methyl-2-(1-pyridin-2-ylethylamino)benzoic acid?
3-methyl-2-(1-pyridin-2-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 3-methyl-2-(1-pyridin-2-ylethylamino)benzoic acid is sourced from PubChem (CID 107111886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).