6-(3-propan-2-yl-4-propoxyanilino)pyridine-3-carboxylic acid

C18H22N2O3 — CID 25006095

IUPAC6-(3-propan-2-yl-4-propoxyanilino)pyridine-3-carboxylic acid
SMILESCCCOc1ccc(Nc2ccc(C(=O)O)cn2)cc1C(C)C
InChIInChI=1S/C18H22N2O3/c1-4-9-23-16-7-6-14(10-15(16)12(2)3)20-17-8-5-13(11-19-17)18(21)22/h5-8,10-12H,4,9H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyVWYAGVXDRJXUJM-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.44
Rot. Bonds7

About 6-(3-propan-2-yl-4-propoxyanilino)pyridine-3-carboxylic acid

6-(3-propan-2-yl-4-propoxyanilino)pyridine-3-carboxylic acid (PubChem CID 25006095) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 6-(3-propan-2-yl-4-propoxyanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-propan-2-yl-4-propoxyanilino)pyridine-3-carboxylic acid
PubChem CID25006095
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name6-(3-propan-2-yl-4-propoxyanilino)pyridine-3-carboxylic acid
SMILESCCCOc1ccc(Nc2ccc(C(=O)O)cn2)cc1C(C)C
InChIInChI=1S/C18H22N2O3/c1-4-9-23-16-7-6-14(10-15(16)12(2)3)20-17-8-5-13(11-19-17)18(21)22/h5-8,10-12H,4,9H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyVWYAGVXDRJXUJM-UHFFFAOYSA-N
XLogP4.44
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(3-propan-2-yl-4-propoxyanilino)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

2-chloro-1-(3-propan-2-yl-4-propoxyphenyl)propan-1-one
CID 82264024
6-(4-butylanilino)pyridine-3-carboxylic acid
CID 43378526
6-[[4-(2-methylpropoxy)-3-propan-2-ylphenyl]methyl]pyridine-3-carboxylic acid
CID 167687017
3-methyl-1-[(3-propan-2-yl-4-propoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 139022286
ethyl 2-oxo-2-(3-propan-2-yl-4-propoxyphenyl)acetate
CID 82554095
6-(4-bromo-3-chloroanilino)pyridine-3-carboxylic acid
CID 107613303
3-chloro-1-(3-propan-2-yl-4-propoxyphenyl)propan-1-one
CID 82264022
N-butyl-6-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide
CID 109151743
2-piperazin-1-yl-1-(3-propan-2-yl-4-propoxyphenyl)ethanone
CID 82264037
4-(methoxymethoxy)-3-propan-2-ylbenzoic acid
CID 164892352
6-(2-methylpentanoylamino)pyridine-3-carboxylic acid
CID 61318986
2-propan-2-yl-5-propoxypyridine-4-carboxylic acid
CID 132588861

Frequently Asked Questions

What is the IUPAC name of 6-(3-propan-2-yl-4-propoxyanilino)pyridine-3-carboxylic acid?
The IUPAC name of 6-(3-propan-2-yl-4-propoxyanilino)pyridine-3-carboxylic acid (CID 25006095) is 6-(3-propan-2-yl-4-propoxyanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3-propan-2-yl-4-propoxyanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(3-propan-2-yl-4-propoxyanilino)pyridine-3-carboxylic acid is CCCOc1ccc(Nc2ccc(C(=O)O)cn2)cc1C(C)C.
What is the InChIKey of 6-(3-propan-2-yl-4-propoxyanilino)pyridine-3-carboxylic acid?
The InChIKey is VWYAGVXDRJXUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-4-9-23-16-7-6-14(10-15(16)12(2)3)20-17-8-5-13(11-19-17)18(21)22/h5-8,10-12H,4,9H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 6-(3-propan-2-yl-4-propoxyanilino)pyridine-3-carboxylic acid?
6-(3-propan-2-yl-4-propoxyanilino)pyridine-3-carboxylic acid has a molecular weight of 314.38 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-propan-2-yl-4-propoxyanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 25006095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).