5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile

C19H13FN4O2 — CID 157265619

IUPAC5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile
SMILESCc1cc(Oc2cncc(C#N)c2)cc(C(=O)Cc2cc(F)ccn2)n1
InChIInChI=1S/C19H13FN4O2/c1-12-4-16(26-17-5-13(9-21)10-22-11-17)8-18(24-12)19(25)7-15-6-14(20)2-3-23-15/h2-6,8,10-11H,7H2,1H3
InChIKeyAXYPASQTOPTDCA-UHFFFAOYSA-N
MW348.34 g/mol
LogP3.41
Rot. Bonds5

About 5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile

5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile (PubChem CID 157265619) has the molecular formula C19H13FN4O2 and a molecular weight of 348.34 g/mol. Its IUPAC name is 5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile
PubChem CID157265619
Molecular FormulaC19H13FN4O2
Molecular Weight348.34 g/mol
Exact Mass348.10
IUPAC Name5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile
SMILESCc1cc(Oc2cncc(C#N)c2)cc(C(=O)Cc2cc(F)ccn2)n1
InChIInChI=1S/C19H13FN4O2/c1-12-4-16(26-17-5-13(9-21)10-22-11-17)8-18(24-12)19(25)7-15-6-14(20)2-3-23-15/h2-6,8,10-11H,7H2,1H3
InChIKeyAXYPASQTOPTDCA-UHFFFAOYSA-N
XLogP3.41
TPSA88.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile?
The IUPAC name of 5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile (CID 157265619) is 5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile?
The canonical SMILES for 5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile is Cc1cc(Oc2cncc(C#N)c2)cc(C(=O)Cc2cc(F)ccn2)n1.
What is the InChIKey of 5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile?
The InChIKey is AXYPASQTOPTDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O2/c1-12-4-16(26-17-5-13(9-21)10-22-11-17)8-18(24-12)19(25)7-15-6-14(20)2-3-23-15/h2-6,8,10-11H,7H2,1H3.
What are the key properties of 5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile?
5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile has a molecular weight of 348.34 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[2-(4-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile is sourced from PubChem (CID 157265619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).