5-N-[4-(2-cyanophenoxy)phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide

C23H20N4O3 — CID 86890386

IUPAC5-N-[4-(2-cyanophenoxy)phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
SMILESCc1nc(C(=O)N(C)C)ccc1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1
InChIInChI=1S/C23H20N4O3/c1-15-19(12-13-20(25-15)23(29)27(2)3)22(28)26-17-8-10-18(11-9-17)30-21-7-5-4-6-16(21)14-24/h4-13H,1-3H3,(H,26,28)
InChIKeyLOTVTYAORKZGQH-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.01
Rot. Bonds5

About 5-N-[4-(2-cyanophenoxy)phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide

5-N-[4-(2-cyanophenoxy)phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide (PubChem CID 86890386) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 5-N-[4-(2-cyanophenoxy)phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[4-(2-cyanophenoxy)phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
PubChem CID86890386
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name5-N-[4-(2-cyanophenoxy)phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
SMILESCc1nc(C(=O)N(C)C)ccc1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1
InChIInChI=1S/C23H20N4O3/c1-15-19(12-13-20(25-15)23(29)27(2)3)22(28)26-17-8-10-18(11-9-17)30-21-7-5-4-6-16(21)14-24/h4-13H,1-3H3,(H,26,28)
InChIKeyLOTVTYAORKZGQH-UHFFFAOYSA-N
XLogP4.01
TPSA95.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-cyanophenoxy)phenyl]furan-2-carboxamide
CID 87012577
5-cyano-6-methyl-N-(2-phenoxyphenyl)pyridine-2-carboxamide
CID 39090146
5-N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
CID 86890345
1-[4-(2-cyanophenoxy)phenyl]-3-(3-methylbutan-2-yl)urea
CID 60576984
N-[4-(2-cyanophenoxy)phenyl]-1-piperidin-4-ylpyrazole-3-carboxamide
CID 167756464
N-[4-(2-fluorophenoxy)phenyl]-6-(methoxymethyl)-2-methylpyridine-3-carboxamide
CID 151433060
5-N-[4-(benzylamino)-3-chlorophenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
CID 86892702
1-butyl-3-[4-(2-cyanophenoxy)phenyl]-1-(2-hydroxyethyl)urea
CID 60577685
2-(cyanomethylsulfanyl)-N-[4-(2-cyanophenoxy)phenyl]acetamide
CID 51092504
N-[4-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide
CID 61058980
2-(2-cyanophenoxy)-N-[4-(2-methoxyphenoxy)phenyl]acetamide
CID 27901734
4-[[4-(2-cyanophenoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122077652

Frequently Asked Questions

What is the IUPAC name of 5-N-[4-(2-cyanophenoxy)phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-[4-(2-cyanophenoxy)phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide (CID 86890386) is 5-N-[4-(2-cyanophenoxy)phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[4-(2-cyanophenoxy)phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-[4-(2-cyanophenoxy)phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide is Cc1nc(C(=O)N(C)C)ccc1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1.
What is the InChIKey of 5-N-[4-(2-cyanophenoxy)phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide?
The InChIKey is LOTVTYAORKZGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-15-19(12-13-20(25-15)23(29)27(2)3)22(28)26-17-8-10-18(11-9-17)30-21-7-5-4-6-16(21)14-24/h4-13H,1-3H3,(H,26,28).
What are the key properties of 5-N-[4-(2-cyanophenoxy)phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide?
5-N-[4-(2-cyanophenoxy)phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide has a molecular weight of 400.44 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[4-(2-cyanophenoxy)phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide is sourced from PubChem (CID 86890386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).