5-(3-ethyl-4-methylanilino)pyridine-2-carboxylic acid

C15H16N2O2 — CID 114250389

IUPAC5-(3-ethyl-4-methylanilino)pyridine-2-carboxylic acid
SMILESCCc1cc(Nc2ccc(C(=O)O)nc2)ccc1C
InChIInChI=1S/C15H16N2O2/c1-3-11-8-12(5-4-10(11)2)17-13-6-7-14(15(18)19)16-9-13/h4-9,17H,3H2,1-2H3,(H,18,19)
InChIKeyYCANHLNRVIWNER-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.39
Rot. Bonds4

About 5-(3-ethyl-4-methylanilino)pyridine-2-carboxylic acid

5-(3-ethyl-4-methylanilino)pyridine-2-carboxylic acid (PubChem CID 114250389) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-(3-ethyl-4-methylanilino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-ethyl-4-methylanilino)pyridine-2-carboxylic acid
PubChem CID114250389
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name5-(3-ethyl-4-methylanilino)pyridine-2-carboxylic acid
SMILESCCc1cc(Nc2ccc(C(=O)O)nc2)ccc1C
InChIInChI=1S/C15H16N2O2/c1-3-11-8-12(5-4-10(11)2)17-13-6-7-14(15(18)19)16-9-13/h4-9,17H,3H2,1-2H3,(H,18,19)
InChIKeyYCANHLNRVIWNER-UHFFFAOYSA-N
XLogP3.39
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,6-difluoro-3-methylanilino)pyridine-2-carboxylic acid
CID 104638966
ethyl 4-[5-(3,4-dimethylanilino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109194138
5-(3-chloro-4-methylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183935
N-butyl-5-(3-chloro-4-methylanilino)-N-methylpyridine-2-carboxamide
CID 109195962
5-acetamidopyridine-2-carboxylic acid
CID 5278292
5-(3,4-dimethylanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109191782
5-(3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109186013
5-(4-bromo-3-methylanilino)-N,N-diethylpyridine-2-carboxamide
CID 109194687
5-[4-(cyanomethyl)anilino]pyridine-2-carboxylic acid
CID 113435915
5-(3-hydroxypropylamino)pyridine-2-carboxylic acid
CID 115490634
5-(3-acetamidoanilino)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide
CID 109199474
5-(3,4-dimethylanilino)pyridine-2-carbothioamide
CID 113320767

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-4-methylanilino)pyridine-2-carboxylic acid?
The IUPAC name of 5-(3-ethyl-4-methylanilino)pyridine-2-carboxylic acid (CID 114250389) is 5-(3-ethyl-4-methylanilino)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(3-ethyl-4-methylanilino)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(3-ethyl-4-methylanilino)pyridine-2-carboxylic acid is CCc1cc(Nc2ccc(C(=O)O)nc2)ccc1C.
What is the InChIKey of 5-(3-ethyl-4-methylanilino)pyridine-2-carboxylic acid?
The InChIKey is YCANHLNRVIWNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-3-11-8-12(5-4-10(11)2)17-13-6-7-14(15(18)19)16-9-13/h4-9,17H,3H2,1-2H3,(H,18,19).
What are the key properties of 5-(3-ethyl-4-methylanilino)pyridine-2-carboxylic acid?
5-(3-ethyl-4-methylanilino)pyridine-2-carboxylic acid has a molecular weight of 256.31 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-4-methylanilino)pyridine-2-carboxylic acid is sourced from PubChem (CID 114250389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).