3-[(1-propylindazol-3-yl)amino]pyridine-4-carboxylic acid

C16H16N4O2 — CID 90216487

IUPAC3-[(1-propylindazol-3-yl)amino]pyridine-4-carboxylic acid
SMILESCCCn1nc(Nc2cnccc2C(=O)O)c2ccccc21
InChIInChI=1S/C16H16N4O2/c1-2-9-20-14-6-4-3-5-12(14)15(19-20)18-13-10-17-8-7-11(13)16(21)22/h3-8,10H,2,9H2,1H3,(H,18,19)(H,21,22)
InChIKeyPDGFLQVBIRFKHM-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.28
Rot. Bonds5

About 3-[(1-propylindazol-3-yl)amino]pyridine-4-carboxylic acid

3-[(1-propylindazol-3-yl)amino]pyridine-4-carboxylic acid (PubChem CID 90216487) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-[(1-propylindazol-3-yl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(1-propylindazol-3-yl)amino]pyridine-4-carboxylic acid
PubChem CID90216487
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name3-[(1-propylindazol-3-yl)amino]pyridine-4-carboxylic acid
SMILESCCCn1nc(Nc2cnccc2C(=O)O)c2ccccc21
InChIInChI=1S/C16H16N4O2/c1-2-9-20-14-6-4-3-5-12(14)15(19-20)18-13-10-17-8-7-11(13)16(21)22/h3-8,10H,2,9H2,1H3,(H,18,19)(H,21,22)
InChIKeyPDGFLQVBIRFKHM-UHFFFAOYSA-N
XLogP3.28
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-propylindazol-3-yl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(1-propylindazol-3-yl)amino]pyridine-4-carboxylic acid (CID 90216487) is 3-[(1-propylindazol-3-yl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(1-propylindazol-3-yl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(1-propylindazol-3-yl)amino]pyridine-4-carboxylic acid is CCCn1nc(Nc2cnccc2C(=O)O)c2ccccc21.
What is the InChIKey of 3-[(1-propylindazol-3-yl)amino]pyridine-4-carboxylic acid?
The InChIKey is PDGFLQVBIRFKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-2-9-20-14-6-4-3-5-12(14)15(19-20)18-13-10-17-8-7-11(13)16(21)22/h3-8,10H,2,9H2,1H3,(H,18,19)(H,21,22).
What are the key properties of 3-[(1-propylindazol-3-yl)amino]pyridine-4-carboxylic acid?
3-[(1-propylindazol-3-yl)amino]pyridine-4-carboxylic acid has a molecular weight of 296.33 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-propylindazol-3-yl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 90216487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).