4-cyano-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide

C23H22N6O2 — CID 122326059

IUPAC4-cyano-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
SMILESCc1cc(Nc2ccc(NC(=O)c3ccc(C#N)cc3)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C23H22N6O2/c1-16-14-21(28-23(25-16)29-10-12-31-13-11-29)26-19-6-8-20(9-7-19)27-22(30)18-4-2-17(15-24)3-5-18/h2-9,14H,10-13H2,1H3,(H,27,30)(H,25,26,28)
InChIKeyYAWYIRMHEUSKKG-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.49
Rot. Bonds5

About 4-cyano-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide

4-cyano-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide (PubChem CID 122326059) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 4-cyano-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
PubChem CID122326059
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name4-cyano-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
SMILESCc1cc(Nc2ccc(NC(=O)c3ccc(C#N)cc3)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C23H22N6O2/c1-16-14-21(28-23(25-16)29-10-12-31-13-11-29)26-19-6-8-20(9-7-19)27-22(30)18-4-2-17(15-24)3-5-18/h2-9,14H,10-13H2,1H3,(H,27,30)(H,25,26,28)
InChIKeyYAWYIRMHEUSKKG-UHFFFAOYSA-N
XLogP3.49
TPSA103.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-dimethyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 53047898
N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 53047921
N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]quinoxaline-6-carboxamide
CID 122326128
3,4-dimethoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 53047904
2-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide
CID 53047890
5-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,2-oxazole-3-carboxamide
CID 122326053
3-(4-fluorophenoxy)-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 122326154
2,4-dichloro-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 53047913
ethyl 4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]benzoate
CID 659609
2-methoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122325940
3,5-dimethyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 121090382
N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-4-pyrrol-1-ylbenzamide
CID 122295711

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide?
The IUPAC name of 4-cyano-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide (CID 122326059) is 4-cyano-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide.
What is the SMILES notation for 4-cyano-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide?
The canonical SMILES for 4-cyano-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide is Cc1cc(Nc2ccc(NC(=O)c3ccc(C#N)cc3)cc2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-cyano-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide?
The InChIKey is YAWYIRMHEUSKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-16-14-21(28-23(25-16)29-10-12-31-13-11-29)26-19-6-8-20(9-7-19)27-22(30)18-4-2-17(15-24)3-5-18/h2-9,14H,10-13H2,1H3,(H,27,30)(H,25,26,28).
What are the key properties of 4-cyano-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide?
4-cyano-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide has a molecular weight of 414.47 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide is sourced from PubChem (CID 122326059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).