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

C15H16N2O2 — CID 112723330

IUPAC2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
SMILESCc1ccccc1CCNc1cc(C(=O)O)ccn1
InChIInChI=1S/C15H16N2O2/c1-11-4-2-3-5-12(11)6-8-16-14-10-13(15(18)19)7-9-17-14/h2-5,7,9-10H,6,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyACTQHOGXDGLXJT-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.74
Rot. Bonds5

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

2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid (PubChem CID 112723330) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
PubChem CID112723330
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
SMILESCc1ccccc1CCNc1cc(C(=O)O)ccn1
InChIInChI=1S/C15H16N2O2/c1-11-4-2-3-5-12(11)6-8-16-14-10-13(15(18)19)7-9-17-14/h2-5,7,9-10H,6,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyACTQHOGXDGLXJT-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-[(4-methyl-3-pyridinyl)methylamino]pyridine-4-carboxylic acid
CID 114956408
2-[2-(2-methylphenyl)ethylamino]pyridine-4-carbonitrile
CID 79749854
2-(2-hydroxyethylamino)pyridine-4-carboxylic acid
CID 53408816
2-(2-pyridin-4-ylethylamino)pyridine-4-carboxylic acid
CID 60903144
2-[2-(dimethylamino)ethylamino]-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
CID 109167781
2-(ethylamino)-N-methyl-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
CID 62175582
2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
CID 60709058
2-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-4-carboxylic acid
CID 55219063
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-4-carboxylic acid
CID 106400845
N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172463
N-(3,4-dimethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172803
N-[2-(dimethylamino)ethyl]-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109167652

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid (CID 112723330) is 2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid is Cc1ccccc1CCNc1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid?
The InChIKey is ACTQHOGXDGLXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11-4-2-3-5-12(11)6-8-16-14-10-13(15(18)19)7-9-17-14/h2-5,7,9-10H,6,8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid?
2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic 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 2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 112723330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).