4-(4-tert-butylanilino)pyridine-3-carboxylic acid

C16H18N2O2 — CID 81232443

IUPAC4-(4-tert-butylanilino)pyridine-3-carboxylic acid
SMILESCC(C)(C)c1ccc(Nc2ccncc2C(=O)O)cc1
InChIInChI=1S/C16H18N2O2/c1-16(2,3)11-4-6-12(7-5-11)18-14-8-9-17-10-13(14)15(19)20/h4-10H,1-3H3,(H,17,18)(H,19,20)
InChIKeyYBVNJEBRXXPZFU-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.82
Rot. Bonds3

About 4-(4-tert-butylanilino)pyridine-3-carboxylic acid

4-(4-tert-butylanilino)pyridine-3-carboxylic acid (PubChem CID 81232443) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-(4-tert-butylanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-tert-butylanilino)pyridine-3-carboxylic acid
PubChem CID81232443
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-(4-tert-butylanilino)pyridine-3-carboxylic acid
SMILESCC(C)(C)c1ccc(Nc2ccncc2C(=O)O)cc1
InChIInChI=1S/C16H18N2O2/c1-16(2,3)11-4-6-12(7-5-11)18-14-8-9-17-10-13(14)15(19)20/h4-10H,1-3H3,(H,17,18)(H,19,20)
InChIKeyYBVNJEBRXXPZFU-UHFFFAOYSA-N
XLogP3.82
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(4-tert-butylanilino)pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,4-dimethylanilino)pyridine-3-carboxylic acid
CID 81233469
4-(4-ethoxyanilino)pyridine-3-carboxylic acid
CID 81233372
4-(3-chloro-4-methylanilino)pyridine-3-carboxylic acid
CID 81232618
4-[4-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
CID 81244152
4-(2,2-dimethylpropylamino)pyridine-3-carboxylic acid
CID 81233154
4-(3-hydroxyanilino)pyridine-3-carboxylic acid
CID 115037604
4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid
CID 81243430
4-[4-bromo-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
CID 81244664
methyl 4-anilinopyridine-3-carboxylate
CID 119016910
4-(2,4,5-trifluoroanilino)pyridine-3-carboxylic acid
CID 81243645
4-(2,2-difluoropropylamino)pyridine-3-carboxylic acid
CID 164651998
4-(3-methylsulfanylanilino)pyridine-3-carboxylic acid
CID 81232442

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylanilino)pyridine-3-carboxylic acid?
The IUPAC name of 4-(4-tert-butylanilino)pyridine-3-carboxylic acid (CID 81232443) is 4-(4-tert-butylanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(4-tert-butylanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(4-tert-butylanilino)pyridine-3-carboxylic acid is CC(C)(C)c1ccc(Nc2ccncc2C(=O)O)cc1.
What is the InChIKey of 4-(4-tert-butylanilino)pyridine-3-carboxylic acid?
The InChIKey is YBVNJEBRXXPZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-16(2,3)11-4-6-12(7-5-11)18-14-8-9-17-10-13(14)15(19)20/h4-10H,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 4-(4-tert-butylanilino)pyridine-3-carboxylic acid?
4-(4-tert-butylanilino)pyridine-3-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 81232443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).