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

C24H18N6O — CID 90975306

IUPAC4-cyano-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(C#N)cc2)cc1N(c1cccnc1)c1ncccn1
InChIInChI=1S/C24H18N6O/c1-17-5-10-20(29-23(31)19-8-6-18(15-25)7-9-19)14-22(17)30(21-4-2-11-26-16-21)24-27-12-3-13-28-24/h2-14,16H,1H3,(H,29,31)
InChIKeyRERHXGVAADZPQN-UHFFFAOYSA-N
MW406.45 g/mol
LogP4.77
Rot. Bonds5

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

4-cyano-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide (PubChem CID 90975306) has the molecular formula C24H18N6O and a molecular weight of 406.45 g/mol. Its IUPAC name is 4-cyano-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide
PubChem CID90975306
Molecular FormulaC24H18N6O
Molecular Weight406.45 g/mol
Exact Mass406.15
IUPAC Name4-cyano-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(C#N)cc2)cc1N(c1cccnc1)c1ncccn1
InChIInChI=1S/C24H18N6O/c1-17-5-10-20(29-23(31)19-8-6-18(15-25)7-9-19)14-22(17)30(21-4-2-11-26-16-21)24-27-12-3-13-28-24/h2-14,16H,1H3,(H,29,31)
InChIKeyRERHXGVAADZPQN-UHFFFAOYSA-N
XLogP4.77
TPSA94.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 54.77
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-methoxy-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide
CID 91345403
4-(diethylaminomethyl)-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide
CID 91073023
4-cyano-N-[3-[pyridin-2-yl(pyrimidin-2-yl)amino]phenyl]benzamide
CID 91440947
4-cyano-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64792528
2-(4-methylpiperazin-1-yl)-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]acetamide
CID 91095968
3-bromo-N-[4-methyl-3-[pyridin-3-yl(1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 91248668
4-N-(3-chloro-4-methylphenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109050028
N-[4-methyl-3-[pyridin-3-yl(1,3-thiazol-2-yl)amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide
CID 91153862
5-[(4-cyanobenzoyl)amino]-2-methylbenzoyl chloride
CID 22667774
3-cyano-N-[3-(dimethylamino)-4-methylphenyl]benzamide
CID 115377455
N-[4-methyl-3-[pyrazin-2-yl(pyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 91220035

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide?
The IUPAC name of 4-cyano-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide (CID 90975306) is 4-cyano-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide.
What is the SMILES notation for 4-cyano-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide?
The canonical SMILES for 4-cyano-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide is Cc1ccc(NC(=O)c2ccc(C#N)cc2)cc1N(c1cccnc1)c1ncccn1.
What is the InChIKey of 4-cyano-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide?
The InChIKey is RERHXGVAADZPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6O/c1-17-5-10-20(29-23(31)19-8-6-18(15-25)7-9-19)14-22(17)30(21-4-2-11-26-16-21)24-27-12-3-13-28-24/h2-14,16H,1H3,(H,29,31).
What are the key properties of 4-cyano-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide?
4-cyano-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide has a molecular weight of 406.45 g/mol, XLogP of 4.77, 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-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide is sourced from PubChem (CID 90975306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).