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

C24H18N4O2 — CID 86274997

IUPAC6-[4-[4-cyano-2-(1-methylpyrrol-2-yl)phenoxy]phenyl]pyridine-2-carboxamide
SMILESCn1cccc1-c1cc(C#N)ccc1Oc1ccc(-c2cccc(C(N)=O)n2)cc1
InChIInChI=1S/C24H18N4O2/c1-28-13-3-6-22(28)19-14-16(15-25)7-12-23(19)30-18-10-8-17(9-11-18)20-4-2-5-21(27-20)24(26)29/h2-14H,1H3,(H2,26,29)
InChIKeyCJEQMAKWOCPJGL-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.52
Rot. Bonds5

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

6-[4-[4-cyano-2-(1-methylpyrrol-2-yl)phenoxy]phenyl]pyridine-2-carboxamide (PubChem CID 86274997) has the molecular formula C24H18N4O2 and a molecular weight of 394.43 g/mol. Its IUPAC name is 6-[4-[4-cyano-2-(1-methylpyrrol-2-yl)phenoxy]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-[4-cyano-2-(1-methylpyrrol-2-yl)phenoxy]phenyl]pyridine-2-carboxamide
PubChem CID86274997
Molecular FormulaC24H18N4O2
Molecular Weight394.43 g/mol
Exact Mass394.14
IUPAC Name6-[4-[4-cyano-2-(1-methylpyrrol-2-yl)phenoxy]phenyl]pyridine-2-carboxamide
SMILESCn1cccc1-c1cc(C#N)ccc1Oc1ccc(-c2cccc(C(N)=O)n2)cc1
InChIInChI=1S/C24H18N4O2/c1-28-13-3-6-22(28)19-14-16(15-25)7-12-23(19)30-18-10-8-17(9-11-18)20-4-2-5-21(27-20)24(26)29/h2-14H,1H3,(H2,26,29)
InChIKeyCJEQMAKWOCPJGL-UHFFFAOYSA-N
XLogP4.52
TPSA93.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-cyano-2-(1-methylpyrrol-2-yl)phenoxy]phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-[4-[4-cyano-2-(1-methylpyrrol-2-yl)phenoxy]phenyl]pyridine-2-carboxamide (CID 86274997) is 6-[4-[4-cyano-2-(1-methylpyrrol-2-yl)phenoxy]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-[4-cyano-2-(1-methylpyrrol-2-yl)phenoxy]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[4-[4-cyano-2-(1-methylpyrrol-2-yl)phenoxy]phenyl]pyridine-2-carboxamide is Cn1cccc1-c1cc(C#N)ccc1Oc1ccc(-c2cccc(C(N)=O)n2)cc1.
What is the InChIKey of 6-[4-[4-cyano-2-(1-methylpyrrol-2-yl)phenoxy]phenyl]pyridine-2-carboxamide?
The InChIKey is CJEQMAKWOCPJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2/c1-28-13-3-6-22(28)19-14-16(15-25)7-12-23(19)30-18-10-8-17(9-11-18)20-4-2-5-21(27-20)24(26)29/h2-14H,1H3,(H2,26,29).
What are the key properties of 6-[4-[4-cyano-2-(1-methylpyrrol-2-yl)phenoxy]phenyl]pyridine-2-carboxamide?
6-[4-[4-cyano-2-(1-methylpyrrol-2-yl)phenoxy]phenyl]pyridine-2-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-cyano-2-(1-methylpyrrol-2-yl)phenoxy]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 86274997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).