6-[1-(2-methoxy-5-methylphenyl)ethylamino]pyridine-2-carboxylic acid

C16H18N2O3 — CID 122052773

IUPAC6-[1-(2-methoxy-5-methylphenyl)ethylamino]pyridine-2-carboxylic acid
SMILESCOc1ccc(C)cc1C(C)Nc1cccc(C(=O)O)n1
InChIInChI=1S/C16H18N2O3/c1-10-7-8-14(21-3)12(9-10)11(2)17-15-6-4-5-13(18-15)16(19)20/h4-9,11H,1-3H3,(H,17,18)(H,19,20)
InChIKeyAMEGSGKWBFBADE-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.27
Rot. Bonds5

About 6-[1-(2-methoxy-5-methylphenyl)ethylamino]pyridine-2-carboxylic acid

6-[1-(2-methoxy-5-methylphenyl)ethylamino]pyridine-2-carboxylic acid (PubChem CID 122052773) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 6-[1-(2-methoxy-5-methylphenyl)ethylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[1-(2-methoxy-5-methylphenyl)ethylamino]pyridine-2-carboxylic acid
PubChem CID122052773
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name6-[1-(2-methoxy-5-methylphenyl)ethylamino]pyridine-2-carboxylic acid
SMILESCOc1ccc(C)cc1C(C)Nc1cccc(C(=O)O)n1
InChIInChI=1S/C16H18N2O3/c1-10-7-8-14(21-3)12(9-10)11(2)17-15-6-4-5-13(18-15)16(19)20/h4-9,11H,1-3H3,(H,17,18)(H,19,20)
InChIKeyAMEGSGKWBFBADE-UHFFFAOYSA-N
XLogP3.27
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-(2-methoxy-5-methylphenyl)ethylamino]phenyl]acetamide
CID 43824770
6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 62238868
6-[(5-chloro-2-methoxybenzoyl)amino]pyridine-2-carboxylic acid
CID 63643423
phenyl N-[1-(2-methoxy-5-methylphenyl)ethyl]carbamate
CID 60666505
6-(2,5-dimethoxyanilino)pyridine-2-carboxylic acid
CID 62254625
1-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-phenylurea
CID 41077139
6-[1-(4,5-dimethoxy-2-methylphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 119184993
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]quinoline-2-carboxamide
CID 9262198
N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridin-3-amine
CID 43190608
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 42928249
2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 26009266
2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 43697668

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-methoxy-5-methylphenyl)ethylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[1-(2-methoxy-5-methylphenyl)ethylamino]pyridine-2-carboxylic acid (CID 122052773) is 6-[1-(2-methoxy-5-methylphenyl)ethylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[1-(2-methoxy-5-methylphenyl)ethylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[1-(2-methoxy-5-methylphenyl)ethylamino]pyridine-2-carboxylic acid is COc1ccc(C)cc1C(C)Nc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[1-(2-methoxy-5-methylphenyl)ethylamino]pyridine-2-carboxylic acid?
The InChIKey is AMEGSGKWBFBADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-7-8-14(21-3)12(9-10)11(2)17-15-6-4-5-13(18-15)16(19)20/h4-9,11H,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 6-[1-(2-methoxy-5-methylphenyl)ethylamino]pyridine-2-carboxylic acid?
6-[1-(2-methoxy-5-methylphenyl)ethylamino]pyridine-2-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-methoxy-5-methylphenyl)ethylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122052773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).