6-[4-[4-cyano-2-(1-methylpyrazol-4-yl)phenoxy]phenyl]pyridine-2-carboxamide

C23H17N5O2 — CID 86275476

IUPAC6-[4-[4-cyano-2-(1-methylpyrazol-4-yl)phenoxy]phenyl]pyridine-2-carboxamide
SMILESCn1cc(-c2cc(C#N)ccc2Oc2ccc(-c3cccc(C(N)=O)n3)cc2)cn1
InChIInChI=1S/C23H17N5O2/c1-28-14-17(13-26-28)19-11-15(12-24)5-10-22(19)30-18-8-6-16(7-9-18)20-3-2-4-21(27-20)23(25)29/h2-11,13-14H,1H3,(H2,25,29)
InChIKeyOXRNENDFQLUCGH-UHFFFAOYSA-N
MW395.42 g/mol
LogP3.91
Rot. Bonds5

About 6-[4-[4-cyano-2-(1-methylpyrazol-4-yl)phenoxy]phenyl]pyridine-2-carboxamide

6-[4-[4-cyano-2-(1-methylpyrazol-4-yl)phenoxy]phenyl]pyridine-2-carboxamide (PubChem CID 86275476) has the molecular formula C23H17N5O2 and a molecular weight of 395.42 g/mol. Its IUPAC name is 6-[4-[4-cyano-2-(1-methylpyrazol-4-yl)phenoxy]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-[4-cyano-2-(1-methylpyrazol-4-yl)phenoxy]phenyl]pyridine-2-carboxamide
PubChem CID86275476
Molecular FormulaC23H17N5O2
Molecular Weight395.42 g/mol
Exact Mass395.14
IUPAC Name6-[4-[4-cyano-2-(1-methylpyrazol-4-yl)phenoxy]phenyl]pyridine-2-carboxamide
SMILESCn1cc(-c2cc(C#N)ccc2Oc2ccc(-c3cccc(C(N)=O)n3)cc2)cn1
InChIInChI=1S/C23H17N5O2/c1-28-14-17(13-26-28)19-11-15(12-24)5-10-22(19)30-18-8-6-16(7-9-18)20-3-2-4-21(27-20)23(25)29/h2-11,13-14H,1H3,(H2,25,29)
InChIKeyOXRNENDFQLUCGH-UHFFFAOYSA-N
XLogP3.91
TPSA106.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-cyano-2-(1-methylpyrazol-4-yl)phenoxy]phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-[4-[4-cyano-2-(1-methylpyrazol-4-yl)phenoxy]phenyl]pyridine-2-carboxamide (CID 86275476) is 6-[4-[4-cyano-2-(1-methylpyrazol-4-yl)phenoxy]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-[4-cyano-2-(1-methylpyrazol-4-yl)phenoxy]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[4-[4-cyano-2-(1-methylpyrazol-4-yl)phenoxy]phenyl]pyridine-2-carboxamide is Cn1cc(-c2cc(C#N)ccc2Oc2ccc(-c3cccc(C(N)=O)n3)cc2)cn1.
What is the InChIKey of 6-[4-[4-cyano-2-(1-methylpyrazol-4-yl)phenoxy]phenyl]pyridine-2-carboxamide?
The InChIKey is OXRNENDFQLUCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O2/c1-28-14-17(13-26-28)19-11-15(12-24)5-10-22(19)30-18-8-6-16(7-9-18)20-3-2-4-21(27-20)23(25)29/h2-11,13-14H,1H3,(H2,25,29).
What are the key properties of 6-[4-[4-cyano-2-(1-methylpyrazol-4-yl)phenoxy]phenyl]pyridine-2-carboxamide?
6-[4-[4-cyano-2-(1-methylpyrazol-4-yl)phenoxy]phenyl]pyridine-2-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-cyano-2-(1-methylpyrazol-4-yl)phenoxy]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 86275476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).