5-amino-2-(4-ethylanilino)pyridine-4-carboxylic acid

C14H15N3O2 — CID 114090020

IUPAC5-amino-2-(4-ethylanilino)pyridine-4-carboxylic acid
SMILESCCc1ccc(Nc2cc(C(=O)O)c(N)cn2)cc1
InChIInChI=1S/C14H15N3O2/c1-2-9-3-5-10(6-4-9)17-13-7-11(14(18)19)12(15)8-16-13/h3-8H,2,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyWPFREMBEBXETQM-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.67
Rot. Bonds4

About 5-amino-2-(4-ethylanilino)pyridine-4-carboxylic acid

5-amino-2-(4-ethylanilino)pyridine-4-carboxylic acid (PubChem CID 114090020) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-amino-2-(4-ethylanilino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-(4-ethylanilino)pyridine-4-carboxylic acid
PubChem CID114090020
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name5-amino-2-(4-ethylanilino)pyridine-4-carboxylic acid
SMILESCCc1ccc(Nc2cc(C(=O)O)c(N)cn2)cc1
InChIInChI=1S/C14H15N3O2/c1-2-9-3-5-10(6-4-9)17-13-7-11(14(18)19)12(15)8-16-13/h3-8H,2,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyWPFREMBEBXETQM-UHFFFAOYSA-N
XLogP2.67
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylanilino)quinoline-4-carboxylic acid
CID 4166547
ethyl 4-[(5-amino-4-methyl-2-pyridinyl)amino]benzoate
CID 82061056
4-[[6-(4-ethylanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193288
N-(4-ethylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80928200
ethyl 4-[6-(4-ethylanilino)pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109160325
2-N-(4-butylphenyl)-4-methylpyridine-2,5-diamine
CID 79020710
N-(3,4-difluorophenyl)-6-(4-ethylanilino)pyridine-3-carboxamide
CID 109162873
6-(4-ethylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158309
N-[6-(4-ethylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113017495
2-(4-bromoanilino)-5-chloropyridine-4-carboxylic acid
CID 114919117
6-(4-butylanilino)pyridine-3-carboxylic acid
CID 43378526
N-[5-(4-ethylanilino)-2-pyridinyl]-3-methylbutanamide
CID 113032476

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-ethylanilino)pyridine-4-carboxylic acid?
The IUPAC name of 5-amino-2-(4-ethylanilino)pyridine-4-carboxylic acid (CID 114090020) is 5-amino-2-(4-ethylanilino)pyridine-4-carboxylic acid.
What is the SMILES notation for 5-amino-2-(4-ethylanilino)pyridine-4-carboxylic acid?
The canonical SMILES for 5-amino-2-(4-ethylanilino)pyridine-4-carboxylic acid is CCc1ccc(Nc2cc(C(=O)O)c(N)cn2)cc1.
What is the InChIKey of 5-amino-2-(4-ethylanilino)pyridine-4-carboxylic acid?
The InChIKey is WPFREMBEBXETQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-2-9-3-5-10(6-4-9)17-13-7-11(14(18)19)12(15)8-16-13/h3-8H,2,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-amino-2-(4-ethylanilino)pyridine-4-carboxylic acid?
5-amino-2-(4-ethylanilino)pyridine-4-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-ethylanilino)pyridine-4-carboxylic acid is sourced from PubChem (CID 114090020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).