2-(N-ethyl-4-methylanilino)-4,6-dimethylpyridine-3-carboxylic acid

C17H20N2O2 — CID 63513632

IUPAC2-(N-ethyl-4-methylanilino)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCCN(c1ccc(C)cc1)c1nc(C)cc(C)c1C(=O)O
InChIInChI=1S/C17H20N2O2/c1-5-19(14-8-6-11(2)7-9-14)16-15(17(20)21)12(3)10-13(4)18-16/h6-10H,5H2,1-4H3,(H,20,21)
InChIKeyDVCSJQKQXAQGIB-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.86
Rot. Bonds4

About 2-(N-ethyl-4-methylanilino)-4,6-dimethylpyridine-3-carboxylic acid

2-(N-ethyl-4-methylanilino)-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 63513632) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(N-ethyl-4-methylanilino)-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(N-ethyl-4-methylanilino)-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID63513632
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-(N-ethyl-4-methylanilino)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCCN(c1ccc(C)cc1)c1nc(C)cc(C)c1C(=O)O
InChIInChI=1S/C17H20N2O2/c1-5-19(14-8-6-11(2)7-9-14)16-15(17(20)21)12(3)10-13(4)18-16/h6-10H,5H2,1-4H3,(H,20,21)
InChIKeyDVCSJQKQXAQGIB-UHFFFAOYSA-N
XLogP3.86
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-4-methylanilino)-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 2-(N-ethyl-4-methylanilino)-4,6-dimethylpyridine-3-carboxylic acid (CID 63513632) is 2-(N-ethyl-4-methylanilino)-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(N-ethyl-4-methylanilino)-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(N-ethyl-4-methylanilino)-4,6-dimethylpyridine-3-carboxylic acid is CCN(c1ccc(C)cc1)c1nc(C)cc(C)c1C(=O)O.
What is the InChIKey of 2-(N-ethyl-4-methylanilino)-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is DVCSJQKQXAQGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-5-19(14-8-6-11(2)7-9-14)16-15(17(20)21)12(3)10-13(4)18-16/h6-10H,5H2,1-4H3,(H,20,21).
What are the key properties of 2-(N-ethyl-4-methylanilino)-4,6-dimethylpyridine-3-carboxylic acid?
2-(N-ethyl-4-methylanilino)-4,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-4-methylanilino)-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 63513632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).