2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid

C15H16N2O2 — CID 60709058

IUPAC2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
SMILESCc1ccccc1C(C)Nc1cc(C(=O)O)ccn1
InChIInChI=1S/C15H16N2O2/c1-10-5-3-4-6-13(10)11(2)17-14-9-12(15(18)19)7-8-16-14/h3-9,11H,1-2H3,(H,16,17)(H,18,19)
InChIKeyUTYAWYPLLMVZAQ-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.26
Rot. Bonds4

About 2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid

2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid (PubChem CID 60709058) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
PubChem CID60709058
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
SMILESCc1ccccc1C(C)Nc1cc(C(=O)O)ccn1
InChIInChI=1S/C15H16N2O2/c1-10-5-3-4-6-13(10)11(2)17-14-9-12(15(18)19)7-8-16-14/h3-9,11H,1-2H3,(H,16,17)(H,18,19)
InChIKeyUTYAWYPLLMVZAQ-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

3-bromo-4-[1-(2-methylphenyl)ethylamino]benzoic acid
CID 82800677
2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
CID 112723330
3-chloro-2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
CID 107062092
6-[1-(2-methylphenyl)ethylamino]pyrazine-2-carboxylic acid
CID 66449868
N-(3-chloro-4-methylphenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide
CID 109170167
6-N-methyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine
CID 80801495
2-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]pyridine-4-carboxamide
CID 114326314
5-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid
CID 81354446
3-[1-(2-hydroxyphenyl)ethylamino]-4-methylbenzoic acid
CID 43727547
2-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109165889
2-methyl-6-[1-(2-methylphenyl)ethylamino]pyridine-4-carbothioamide
CID 114767407
3-[1-(2-methylphenyl)ethylamino]propanoic acid
CID 43087225

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid (CID 60709058) is 2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid is Cc1ccccc1C(C)Nc1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid?
The InChIKey is UTYAWYPLLMVZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-5-3-4-6-13(10)11(2)17-14-9-12(15(18)19)7-8-16-14/h3-9,11H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid?
2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic 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 2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 60709058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).