2-[1-(4-chlorophenyl)ethylamino]-4,6-dimethylpyridine-3-carboxylic acid

C16H17ClN2O2 — CID 60677493

IUPAC2-[1-(4-chlorophenyl)ethylamino]-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(NC(C)c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H17ClN2O2/c1-9-8-10(2)18-15(14(9)16(20)21)19-11(3)12-4-6-13(17)7-5-12/h4-8,11H,1-3H3,(H,18,19)(H,20,21)
InChIKeyTUOZDUYIFFUPIK-UHFFFAOYSA-N
MW304.78 g/mol
LogP4.22
Rot. Bonds4

About 2-[1-(4-chlorophenyl)ethylamino]-4,6-dimethylpyridine-3-carboxylic acid

2-[1-(4-chlorophenyl)ethylamino]-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 60677493) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)ethylamino]-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)ethylamino]-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID60677493
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-[1-(4-chlorophenyl)ethylamino]-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(NC(C)c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H17ClN2O2/c1-9-8-10(2)18-15(14(9)16(20)21)19-11(3)12-4-6-13(17)7-5-12/h4-8,11H,1-3H3,(H,18,19)(H,20,21)
InChIKeyTUOZDUYIFFUPIK-UHFFFAOYSA-N
XLogP4.22
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)ethylamino]-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 2-[1-(4-chlorophenyl)ethylamino]-4,6-dimethylpyridine-3-carboxylic acid (CID 60677493) is 2-[1-(4-chlorophenyl)ethylamino]-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-[1-(4-chlorophenyl)ethylamino]-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-[1-(4-chlorophenyl)ethylamino]-4,6-dimethylpyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(NC(C)c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[1-(4-chlorophenyl)ethylamino]-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is TUOZDUYIFFUPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-9-8-10(2)18-15(14(9)16(20)21)19-11(3)12-4-6-13(17)7-5-12/h4-8,11H,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 2-[1-(4-chlorophenyl)ethylamino]-4,6-dimethylpyridine-3-carboxylic acid?
2-[1-(4-chlorophenyl)ethylamino]-4,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 304.78 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)ethylamino]-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 60677493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).