6-[4-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]oxy]butyl]pyridine-2-carboxylic acid

C19H20N4O3 — CID 154931119

IUPAC6-[4-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]oxy]butyl]pyridine-2-carboxylic acid
SMILESCn1nccc1-c1ccc(OCCCCc2cccc(C(=O)O)n2)cn1
InChIInChI=1S/C19H20N4O3/c1-23-18(10-11-21-23)16-9-8-15(13-20-16)26-12-3-2-5-14-6-4-7-17(22-14)19(24)25/h4,6-11,13H,2-3,5,12H2,1H3,(H,24,25)
InChIKeyXBJHSYSNZDISDM-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.98
Rot. Bonds8

About 6-[4-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]oxy]butyl]pyridine-2-carboxylic acid

6-[4-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]oxy]butyl]pyridine-2-carboxylic acid (PubChem CID 154931119) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 6-[4-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]oxy]butyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]oxy]butyl]pyridine-2-carboxylic acid
PubChem CID154931119
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name6-[4-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]oxy]butyl]pyridine-2-carboxylic acid
SMILESCn1nccc1-c1ccc(OCCCCc2cccc(C(=O)O)n2)cn1
InChIInChI=1S/C19H20N4O3/c1-23-18(10-11-21-23)16-9-8-15(13-20-16)26-12-3-2-5-14-6-4-7-17(22-14)19(24)25/h4,6-11,13H,2-3,5,12H2,1H3,(H,24,25)
InChIKeyXBJHSYSNZDISDM-UHFFFAOYSA-N
XLogP2.98
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]oxy]butyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]oxy]butyl]pyridine-2-carboxylic acid (CID 154931119) is 6-[4-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]oxy]butyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]oxy]butyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]oxy]butyl]pyridine-2-carboxylic acid is Cn1nccc1-c1ccc(OCCCCc2cccc(C(=O)O)n2)cn1.
What is the InChIKey of 6-[4-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]oxy]butyl]pyridine-2-carboxylic acid?
The InChIKey is XBJHSYSNZDISDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-23-18(10-11-21-23)16-9-8-15(13-20-16)26-12-3-2-5-14-6-4-7-17(22-14)19(24)25/h4,6-11,13H,2-3,5,12H2,1H3,(H,24,25).
What are the key properties of 6-[4-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]oxy]butyl]pyridine-2-carboxylic acid?
6-[4-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]oxy]butyl]pyridine-2-carboxylic acid has a molecular weight of 352.39 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]oxy]butyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 154931119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).