6-(2-propan-2-yloxyanilino)pyridine-2-carboxylic acid

C15H16N2O3 — CID 82488459

IUPAC6-(2-propan-2-yloxyanilino)pyridine-2-carboxylic acid
SMILESCC(C)Oc1ccccc1Nc1cccc(C(=O)O)n1
InChIInChI=1S/C15H16N2O3/c1-10(2)20-13-8-4-3-6-11(13)16-14-9-5-7-12(17-14)15(18)19/h3-10H,1-2H3,(H,16,17)(H,18,19)
InChIKeyCYYFLDBZMMLTDD-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.31
Rot. Bonds5

About 6-(2-propan-2-yloxyanilino)pyridine-2-carboxylic acid

6-(2-propan-2-yloxyanilino)pyridine-2-carboxylic acid (PubChem CID 82488459) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 6-(2-propan-2-yloxyanilino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-propan-2-yloxyanilino)pyridine-2-carboxylic acid
PubChem CID82488459
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name6-(2-propan-2-yloxyanilino)pyridine-2-carboxylic acid
SMILESCC(C)Oc1ccccc1Nc1cccc(C(=O)O)n1
InChIInChI=1S/C15H16N2O3/c1-10(2)20-13-8-4-3-6-11(13)16-14-9-5-7-12(17-14)15(18)19/h3-10H,1-2H3,(H,16,17)(H,18,19)
InChIKeyCYYFLDBZMMLTDD-UHFFFAOYSA-N
XLogP3.31
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide
CID 113048623
4-(2-propan-2-yloxyanilino)benzoic acid
CID 82535891
6-N-propan-2-yl-2-N-(2-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
CID 109093744
N-(2,6-dimethylphenyl)-2-methyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 112849208
N,2-dimethyl-N-phenyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 112848591
azepan-1-yl-[2-methyl-6-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone
CID 112847805
6-(2,5-dimethoxyanilino)pyridine-2-carboxylic acid
CID 62254625
N-(1-phenylethyl)-6-(2-propan-2-yloxyanilino)pyridazine-3-carboxamide
CID 109118892
4-methyl-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide
CID 113048626
6-N-tert-butyl-2-N-(2-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
CID 109099182
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
N-(4-chlorophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109358274

Frequently Asked Questions

What is the IUPAC name of 6-(2-propan-2-yloxyanilino)pyridine-2-carboxylic acid?
The IUPAC name of 6-(2-propan-2-yloxyanilino)pyridine-2-carboxylic acid (CID 82488459) is 6-(2-propan-2-yloxyanilino)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2-propan-2-yloxyanilino)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(2-propan-2-yloxyanilino)pyridine-2-carboxylic acid is CC(C)Oc1ccccc1Nc1cccc(C(=O)O)n1.
What is the InChIKey of 6-(2-propan-2-yloxyanilino)pyridine-2-carboxylic acid?
The InChIKey is CYYFLDBZMMLTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10(2)20-13-8-4-3-6-11(13)16-14-9-5-7-12(17-14)15(18)19/h3-10H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 6-(2-propan-2-yloxyanilino)pyridine-2-carboxylic acid?
6-(2-propan-2-yloxyanilino)pyridine-2-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-propan-2-yloxyanilino)pyridine-2-carboxylic acid is sourced from PubChem (CID 82488459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).