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

C20H26N2O3 — CID 25006098

IUPAC6-(N-ethyl-4-propan-2-yl-3-propoxyanilino)pyridine-3-carboxylic acid
SMILESCCCOc1cc(N(CC)c2ccc(C(=O)O)cn2)ccc1C(C)C
InChIInChI=1S/C20H26N2O3/c1-5-11-25-18-12-16(8-9-17(18)14(3)4)22(6-2)19-10-7-15(13-21-19)20(23)24/h7-10,12-14H,5-6,11H2,1-4H3,(H,23,24)
InChIKeyYAOLHBZSNTZZQF-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.85
Rot. Bonds8

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

6-(N-ethyl-4-propan-2-yl-3-propoxyanilino)pyridine-3-carboxylic acid (PubChem CID 25006098) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 6-(N-ethyl-4-propan-2-yl-3-propoxyanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(N-ethyl-4-propan-2-yl-3-propoxyanilino)pyridine-3-carboxylic acid
PubChem CID25006098
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name6-(N-ethyl-4-propan-2-yl-3-propoxyanilino)pyridine-3-carboxylic acid
SMILESCCCOc1cc(N(CC)c2ccc(C(=O)O)cn2)ccc1C(C)C
InChIInChI=1S/C20H26N2O3/c1-5-11-25-18-12-16(8-9-17(18)14(3)4)22(6-2)19-10-7-15(13-21-19)20(23)24/h7-10,12-14H,5-6,11H2,1-4H3,(H,23,24)
InChIKeyYAOLHBZSNTZZQF-UHFFFAOYSA-N
XLogP4.85
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(N-ethyl-4-propan-2-yl-3-propoxyanilino)pyridine-3-carboxylic acid?
The IUPAC name of 6-(N-ethyl-4-propan-2-yl-3-propoxyanilino)pyridine-3-carboxylic acid (CID 25006098) is 6-(N-ethyl-4-propan-2-yl-3-propoxyanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(N-ethyl-4-propan-2-yl-3-propoxyanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(N-ethyl-4-propan-2-yl-3-propoxyanilino)pyridine-3-carboxylic acid is CCCOc1cc(N(CC)c2ccc(C(=O)O)cn2)ccc1C(C)C.
What is the InChIKey of 6-(N-ethyl-4-propan-2-yl-3-propoxyanilino)pyridine-3-carboxylic acid?
The InChIKey is YAOLHBZSNTZZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-5-11-25-18-12-16(8-9-17(18)14(3)4)22(6-2)19-10-7-15(13-21-19)20(23)24/h7-10,12-14H,5-6,11H2,1-4H3,(H,23,24).
What are the key properties of 6-(N-ethyl-4-propan-2-yl-3-propoxyanilino)pyridine-3-carboxylic acid?
6-(N-ethyl-4-propan-2-yl-3-propoxyanilino)pyridine-3-carboxylic acid has a molecular weight of 342.44 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N-ethyl-4-propan-2-yl-3-propoxyanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 25006098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).