2-(4-propan-2-ylanilino)pyridine-3-carboxylic acid

C15H16N2O2 — CID 1174129

IUPAC2-(4-propan-2-ylanilino)pyridine-3-carboxylic acid
SMILESCC(C)c1ccc(Nc2ncccc2C(=O)O)cc1
InChIInChI=1S/C15H16N2O2/c1-10(2)11-5-7-12(8-6-11)17-14-13(15(18)19)4-3-9-16-14/h3-10H,1-2H3,(H,16,17)(H,18,19)
InChIKeyDCLXMHUTJZKNCY-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.65
Rot. Bonds4

About 2-(4-propan-2-ylanilino)pyridine-3-carboxylic acid

2-(4-propan-2-ylanilino)pyridine-3-carboxylic acid (PubChem CID 1174129) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(4-propan-2-ylanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-propan-2-ylanilino)pyridine-3-carboxylic acid
PubChem CID1174129
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-(4-propan-2-ylanilino)pyridine-3-carboxylic acid
SMILESCC(C)c1ccc(Nc2ncccc2C(=O)O)cc1
InChIInChI=1S/C15H16N2O2/c1-10(2)11-5-7-12(8-6-11)17-14-13(15(18)19)4-3-9-16-14/h3-10H,1-2H3,(H,16,17)(H,18,19)
InChIKeyDCLXMHUTJZKNCY-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylanilino)pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-propan-2-ylanilino)pyridine-3-carboxylic acid (CID 1174129) is 2-(4-propan-2-ylanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-propan-2-ylanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-propan-2-ylanilino)pyridine-3-carboxylic acid is CC(C)c1ccc(Nc2ncccc2C(=O)O)cc1.
What is the InChIKey of 2-(4-propan-2-ylanilino)pyridine-3-carboxylic acid?
The InChIKey is DCLXMHUTJZKNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10(2)11-5-7-12(8-6-11)17-14-13(15(18)19)4-3-9-16-14/h3-10H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-(4-propan-2-ylanilino)pyridine-3-carboxylic acid?
2-(4-propan-2-ylanilino)pyridine-3-carboxylic acid has a molecular weight of 256.31 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 1174129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).