2-[[1-(2-methoxy-6-methylphenyl)-3-prop-1-enylpyrazol-5-yl]amino]pyridine-3-carboxylic acid

C20H20N4O3 — CID 68862304

IUPAC2-[[1-(2-methoxy-6-methylphenyl)-3-prop-1-enylpyrazol-5-yl]amino]pyridine-3-carboxylic acid
SMILESCC=Cc1cc(Nc2ncccc2C(=O)O)n(-c2c(C)cccc2OC)n1
InChIInChI=1S/C20H20N4O3/c1-4-7-14-12-17(22-19-15(20(25)26)9-6-11-21-19)24(23-14)18-13(2)8-5-10-16(18)27-3/h4-12H,1-3H3,(H,21,22)(H,25,26)
InChIKeyUHGQUZLKCDBHGL-UHFFFAOYSA-N
MW364.41 g/mol
LogP4.06
Rot. Bonds6

About 2-[[1-(2-methoxy-6-methylphenyl)-3-prop-1-enylpyrazol-5-yl]amino]pyridine-3-carboxylic acid

2-[[1-(2-methoxy-6-methylphenyl)-3-prop-1-enylpyrazol-5-yl]amino]pyridine-3-carboxylic acid (PubChem CID 68862304) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-[[1-(2-methoxy-6-methylphenyl)-3-prop-1-enylpyrazol-5-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[1-(2-methoxy-6-methylphenyl)-3-prop-1-enylpyrazol-5-yl]amino]pyridine-3-carboxylic acid
PubChem CID68862304
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name2-[[1-(2-methoxy-6-methylphenyl)-3-prop-1-enylpyrazol-5-yl]amino]pyridine-3-carboxylic acid
SMILESCC=Cc1cc(Nc2ncccc2C(=O)O)n(-c2c(C)cccc2OC)n1
InChIInChI=1S/C20H20N4O3/c1-4-7-14-12-17(22-19-15(20(25)26)9-6-11-21-19)24(23-14)18-13(2)8-5-10-16(18)27-3/h4-12H,1-3H3,(H,21,22)(H,25,26)
InChIKeyUHGQUZLKCDBHGL-UHFFFAOYSA-N
XLogP4.06
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methoxy-6-methylphenyl)-3-prop-1-enylpyrazol-5-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[1-(2-methoxy-6-methylphenyl)-3-prop-1-enylpyrazol-5-yl]amino]pyridine-3-carboxylic acid (CID 68862304) is 2-[[1-(2-methoxy-6-methylphenyl)-3-prop-1-enylpyrazol-5-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[1-(2-methoxy-6-methylphenyl)-3-prop-1-enylpyrazol-5-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[1-(2-methoxy-6-methylphenyl)-3-prop-1-enylpyrazol-5-yl]amino]pyridine-3-carboxylic acid is CC=Cc1cc(Nc2ncccc2C(=O)O)n(-c2c(C)cccc2OC)n1.
What is the InChIKey of 2-[[1-(2-methoxy-6-methylphenyl)-3-prop-1-enylpyrazol-5-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is UHGQUZLKCDBHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-4-7-14-12-17(22-19-15(20(25)26)9-6-11-21-19)24(23-14)18-13(2)8-5-10-16(18)27-3/h4-12H,1-3H3,(H,21,22)(H,25,26).
What are the key properties of 2-[[1-(2-methoxy-6-methylphenyl)-3-prop-1-enylpyrazol-5-yl]amino]pyridine-3-carboxylic acid?
2-[[1-(2-methoxy-6-methylphenyl)-3-prop-1-enylpyrazol-5-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 364.41 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methoxy-6-methylphenyl)-3-prop-1-enylpyrazol-5-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 68862304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).