4-cyano-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide

C22H15N5O2 — CID 122309040

IUPAC4-cyano-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(Oc3cc(-n4cccc4)ncn3)cc2)cc1
InChIInChI=1S/C22H15N5O2/c23-14-16-3-5-17(6-4-16)22(28)26-18-7-9-19(10-8-18)29-21-13-20(24-15-25-21)27-11-1-2-12-27/h1-13,15H,(H,26,28)
InChIKeyZXJIQHMHLPISDD-UHFFFAOYSA-N
MW381.40 g/mol
LogP4.18
Rot. Bonds5

About 4-cyano-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide

4-cyano-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide (PubChem CID 122309040) has the molecular formula C22H15N5O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is 4-cyano-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
PubChem CID122309040
Molecular FormulaC22H15N5O2
Molecular Weight381.40 g/mol
Exact Mass381.12
IUPAC Name4-cyano-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(Oc3cc(-n4cccc4)ncn3)cc2)cc1
InChIInChI=1S/C22H15N5O2/c23-14-16-3-5-17(6-4-16)22(28)26-18-7-9-19(10-8-18)29-21-13-20(24-15-25-21)27-11-1-2-12-27/h1-13,15H,(H,26,28)
InChIKeyZXJIQHMHLPISDD-UHFFFAOYSA-N
XLogP4.18
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyano-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122307861
4-(dimethylamino)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309038
4-cyano-N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122313953
3,5-dinitro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309180
2,2-diphenyl-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122308873
4-chloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122311866
N-(4-cyanophenyl)-4-pyrrol-1-ylbenzamide
CID 26643465
4-iodo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309931
3-methoxy-1-methyl-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]pyrazole-4-carboxamide
CID 122309030
2,4,5-trifluoro-3-methoxy-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309080
N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-4-phenoxybenzamide
CID 122309414
1-(3-chlorophenyl)-3-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122308884

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide?
The IUPAC name of 4-cyano-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide (CID 122309040) is 4-cyano-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide.
What is the SMILES notation for 4-cyano-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide?
The canonical SMILES for 4-cyano-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide is N#Cc1ccc(C(=O)Nc2ccc(Oc3cc(-n4cccc4)ncn3)cc2)cc1.
What is the InChIKey of 4-cyano-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide?
The InChIKey is ZXJIQHMHLPISDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5O2/c23-14-16-3-5-17(6-4-16)22(28)26-18-7-9-19(10-8-18)29-21-13-20(24-15-25-21)27-11-1-2-12-27/h1-13,15H,(H,26,28).
What are the key properties of 4-cyano-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide?
4-cyano-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide has a molecular weight of 381.40 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide is sourced from PubChem (CID 122309040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).