6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid

C15H16N2O2 — CID 61101859

IUPAC6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid
SMILESCCN(c1cccc(C)c1)c1ccc(C(=O)O)cn1
InChIInChI=1S/C15H16N2O2/c1-3-17(13-6-4-5-11(2)9-13)14-8-7-12(10-16-14)15(18)19/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyAJUNYRHRRCKHBW-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.25
Rot. Bonds4

About 6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid

6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid (PubChem CID 61101859) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid
PubChem CID61101859
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid
SMILESCCN(c1cccc(C)c1)c1ccc(C(=O)O)cn1
InChIInChI=1S/C15H16N2O2/c1-3-17(13-6-4-5-11(2)9-13)14-8-7-12(10-16-14)15(18)19/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyAJUNYRHRRCKHBW-UHFFFAOYSA-N
XLogP3.25
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]methanone
CID 109158481
5-chloro-6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid
CID 63539159
5-(chloromethyl)-N-ethyl-N-(3-methylphenyl)pyridin-2-amine
CID 61257426
N-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]-3,5-dimethoxybenzamide
CID 113022970
3-bromo-4-(N-ethyl-3-methylanilino)benzoic acid
CID 82800688
N-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113023014
N-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113022991
N-ethyl-2-(N-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109267707
6-[N-ethyl-3-(2-methoxyethoxy)-4-propan-2-ylanilino]pyridine-3-carboxylic acid
CID 46893393
2-(N-ethyl-3-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide
CID 109247056
5-(N-ethyl-3-methylanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109283898
6-(N-methylanilino)pyridine-3-carboxylic acid
CID 16778360

Frequently Asked Questions

What is the IUPAC name of 6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid?
The IUPAC name of 6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid (CID 61101859) is 6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid is CCN(c1cccc(C)c1)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid?
The InChIKey is AJUNYRHRRCKHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-3-17(13-6-4-5-11(2)9-13)14-8-7-12(10-16-14)15(18)19/h4-10H,3H2,1-2H3,(H,18,19).
What are the key properties of 6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid?
6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid has a molecular weight of 256.31 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 61101859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).