N-(4-cyano-1-methylpyrazol-5-yl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide

C18H17N7O — CID 108737103

IUPACN-(4-cyano-1-methylpyrazol-5-yl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
SMILESCc1cc(C)nc(Nc2ccc(C(=O)Nc3c(C#N)cnn3C)cc2)n1
InChIInChI=1S/C18H17N7O/c1-11-8-12(2)22-18(21-11)23-15-6-4-13(5-7-15)17(26)24-16-14(9-19)10-20-25(16)3/h4-8,10H,1-3H3,(H,24,26)(H,21,22,23)
InChIKeyCZAHVSFIMYKJOZ-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.69
Rot. Bonds4

About N-(4-cyano-1-methylpyrazol-5-yl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide

N-(4-cyano-1-methylpyrazol-5-yl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide (PubChem CID 108737103) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-5-yl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-5-yl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
PubChem CID108737103
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC NameN-(4-cyano-1-methylpyrazol-5-yl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
SMILESCc1cc(C)nc(Nc2ccc(C(=O)Nc3c(C#N)cnn3C)cc2)n1
InChIInChI=1S/C18H17N7O/c1-11-8-12(2)22-18(21-11)23-15-6-4-13(5-7-15)17(26)24-16-14(9-19)10-20-25(16)3/h4-8,10H,1-3H3,(H,24,26)(H,21,22,23)
InChIKeyCZAHVSFIMYKJOZ-UHFFFAOYSA-N
XLogP2.69
TPSA108.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-cyano-N-(4-cyano-1-methylpyrazol-5-yl)benzamide
CID 112723104
N-(4-cyano-1-methylpyrazol-5-yl)-3,4-dimethylbenzamide
CID 112723715
N-(4-cyano-1-methylpyrazol-5-yl)-3-hydroxy-4-methylbenzamide
CID 79503285
N-(4-cyano-1-methylpyrazol-5-yl)-6-methylpyridine-2-carboxamide
CID 110472162
N-(4-cyano-1-methylpyrazol-5-yl)-4-hydroxy-2-methylbenzamide
CID 107671438
N-(4-cyano-1-methylpyrazol-5-yl)-1,3-benzoxazole-5-carboxamide
CID 108806769
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-pyrimidin-2-ylbenzamide
CID 108796607
N-(4-cyano-1-methylpyrazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 112723801
N-(4-cyano-1-methylpyrazol-5-yl)-4-methyl-3,5-dinitrobenzamide
CID 108737053
N-(4-cyano-1-methylpyrazol-5-yl)-2-methyl-4-nitrobenzamide
CID 79497143
N-(3,4-dichlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 99780178
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-hydroxy-2-methylphenyl)benzamide
CID 108796510

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide (CID 108737103) is N-(4-cyano-1-methylpyrazol-5-yl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-5-yl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-5-yl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide is Cc1cc(C)nc(Nc2ccc(C(=O)Nc3c(C#N)cnn3C)cc2)n1.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-5-yl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide?
The InChIKey is CZAHVSFIMYKJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c1-11-8-12(2)22-18(21-11)23-15-6-4-13(5-7-15)17(26)24-16-14(9-19)10-20-25(16)3/h4-8,10H,1-3H3,(H,24,26)(H,21,22,23).
What are the key properties of N-(4-cyano-1-methylpyrazol-5-yl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide?
N-(4-cyano-1-methylpyrazol-5-yl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide has a molecular weight of 347.38 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-5-yl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide is sourced from PubChem (CID 108737103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).