5-(4-ethyl-N-methylanilino)pyridine-2-carboxylic acid

C15H16N2O2 — CID 113321588

IUPAC5-(4-ethyl-N-methylanilino)pyridine-2-carboxylic acid
SMILESCCc1ccc(N(C)c2ccc(C(=O)O)nc2)cc1
InChIInChI=1S/C15H16N2O2/c1-3-11-4-6-12(7-5-11)17(2)13-8-9-14(15(18)19)16-10-13/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyJSRCAZGXNOJJMT-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.11
Rot. Bonds4

About 5-(4-ethyl-N-methylanilino)pyridine-2-carboxylic acid

5-(4-ethyl-N-methylanilino)pyridine-2-carboxylic acid (PubChem CID 113321588) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-(4-ethyl-N-methylanilino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-ethyl-N-methylanilino)pyridine-2-carboxylic acid
PubChem CID113321588
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name5-(4-ethyl-N-methylanilino)pyridine-2-carboxylic acid
SMILESCCc1ccc(N(C)c2ccc(C(=O)O)nc2)cc1
InChIInChI=1S/C15H16N2O2/c1-3-11-4-6-12(7-5-11)17(2)13-8-9-14(15(18)19)16-10-13/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyJSRCAZGXNOJJMT-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-one
CID 115938975
6-[(4-ethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid
CID 62004228
1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-ol
CID 115940436
5-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carboxylic acid
CID 115490822
5-(4-ethyl-N-methylanilino)pyridine-2-carbonitrile
CID 115487644
4-(4-ethyl-N-methylanilino)pyrimidine-5-carboxylic acid
CID 115148880
5-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-2-carboxylic acid
CID 104638983
5-[butan-2-yl(ethyl)amino]pyridine-2-carboxylic acid
CID 115490776
5-[ethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid
CID 115490768
5-[bis(2-methoxyethyl)amino]pyridine-2-carboxylic acid
CID 113321599
5-[ethyl(2-methoxyethyl)amino]pyridine-2-carboxylic acid
CID 115490842
5-[ethyl(2-ethylbutyl)amino]pyridine-2-carboxylic acid
CID 115490832

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethyl-N-methylanilino)pyridine-2-carboxylic acid?
The IUPAC name of 5-(4-ethyl-N-methylanilino)pyridine-2-carboxylic acid (CID 113321588) is 5-(4-ethyl-N-methylanilino)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(4-ethyl-N-methylanilino)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(4-ethyl-N-methylanilino)pyridine-2-carboxylic acid is CCc1ccc(N(C)c2ccc(C(=O)O)nc2)cc1.
What is the InChIKey of 5-(4-ethyl-N-methylanilino)pyridine-2-carboxylic acid?
The InChIKey is JSRCAZGXNOJJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-3-11-4-6-12(7-5-11)17(2)13-8-9-14(15(18)19)16-10-13/h4-10H,3H2,1-2H3,(H,18,19).
What are the key properties of 5-(4-ethyl-N-methylanilino)pyridine-2-carboxylic acid?
5-(4-ethyl-N-methylanilino)pyridine-2-carboxylic acid has a molecular weight of 256.31 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethyl-N-methylanilino)pyridine-2-carboxylic acid is sourced from PubChem (CID 113321588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).