4-cyano-N-[3-[pyridin-2-yl(pyrimidin-2-yl)amino]phenyl]benzamide

C23H16N6O — CID 91440947

IUPAC4-cyano-N-[3-[pyridin-2-yl(pyrimidin-2-yl)amino]phenyl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2cccc(N(c3ccccn3)c3ncccn3)c2)cc1
InChIInChI=1S/C23H16N6O/c24-16-17-8-10-18(11-9-17)22(30)28-19-5-3-6-20(15-19)29(21-7-1-2-12-25-21)23-26-13-4-14-27-23/h1-15H,(H,28,30)
InChIKeyFFPVHXNLFOWMDP-UHFFFAOYSA-N
MW392.42 g/mol
LogP4.47
Rot. Bonds5

About 4-cyano-N-[3-[pyridin-2-yl(pyrimidin-2-yl)amino]phenyl]benzamide

4-cyano-N-[3-[pyridin-2-yl(pyrimidin-2-yl)amino]phenyl]benzamide (PubChem CID 91440947) has the molecular formula C23H16N6O and a molecular weight of 392.42 g/mol. Its IUPAC name is 4-cyano-N-[3-[pyridin-2-yl(pyrimidin-2-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[3-[pyridin-2-yl(pyrimidin-2-yl)amino]phenyl]benzamide
PubChem CID91440947
Molecular FormulaC23H16N6O
Molecular Weight392.42 g/mol
Exact Mass392.14
IUPAC Name4-cyano-N-[3-[pyridin-2-yl(pyrimidin-2-yl)amino]phenyl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2cccc(N(c3ccccn3)c3ncccn3)c2)cc1
InChIInChI=1S/C23H16N6O/c24-16-17-8-10-18(11-9-17)22(30)28-19-5-3-6-20(15-19)29(21-7-1-2-12-25-21)23-26-13-4-14-27-23/h1-15H,(H,28,30)
InChIKeyFFPVHXNLFOWMDP-UHFFFAOYSA-N
XLogP4.47
TPSA94.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyano-N-[3-[di(pyrimidin-2-yl)amino]-4-methylphenyl]benzamide
CID 91482940
4-cyano-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide
CID 90975306
4-cyano-N-[3-(2-pyridin-2-ylethenyl)phenyl]benzamide
CID 4823960
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
1-N-(4-cyanophenyl)-4-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109050204
methyl 3-[(4-cyanobenzoyl)amino]benzoate
CID 2676472
4-cyano-N-(3-methylsulfanylphenyl)benzamide
CID 2665655
N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286
3-[(4-cyanobenzoyl)amino]-N-cyclopropylbenzamide
CID 16567527
N-(3-cyanophenyl)-4-(methylamino)benzamide
CID 62166375
1-N-(3-cyanophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109049797
N-(3-cyanophenyl)-4-iodobenzamide
CID 875242

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[3-[pyridin-2-yl(pyrimidin-2-yl)amino]phenyl]benzamide?
The IUPAC name of 4-cyano-N-[3-[pyridin-2-yl(pyrimidin-2-yl)amino]phenyl]benzamide (CID 91440947) is 4-cyano-N-[3-[pyridin-2-yl(pyrimidin-2-yl)amino]phenyl]benzamide.
What is the SMILES notation for 4-cyano-N-[3-[pyridin-2-yl(pyrimidin-2-yl)amino]phenyl]benzamide?
The canonical SMILES for 4-cyano-N-[3-[pyridin-2-yl(pyrimidin-2-yl)amino]phenyl]benzamide is N#Cc1ccc(C(=O)Nc2cccc(N(c3ccccn3)c3ncccn3)c2)cc1.
What is the InChIKey of 4-cyano-N-[3-[pyridin-2-yl(pyrimidin-2-yl)amino]phenyl]benzamide?
The InChIKey is FFPVHXNLFOWMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N6O/c24-16-17-8-10-18(11-9-17)22(30)28-19-5-3-6-20(15-19)29(21-7-1-2-12-25-21)23-26-13-4-14-27-23/h1-15H,(H,28,30).
What are the key properties of 4-cyano-N-[3-[pyridin-2-yl(pyrimidin-2-yl)amino]phenyl]benzamide?
4-cyano-N-[3-[pyridin-2-yl(pyrimidin-2-yl)amino]phenyl]benzamide has a molecular weight of 392.42 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[3-[pyridin-2-yl(pyrimidin-2-yl)amino]phenyl]benzamide is sourced from PubChem (CID 91440947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).