4-[[[2-[(4-cyano-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide

C22H22N6O2 — CID 47075344

IUPAC4-[[[2-[(4-cyano-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1
InChIInChI=1S/C22H22N6O2/c1-24-22(30)17-10-8-16(9-11-17)14-27(2)15-20(29)26-21-18(12-23)13-25-28(21)19-6-4-3-5-7-19/h3-11,13H,14-15H2,1-2H3,(H,24,30)(H,26,29)
InChIKeyBSSKTMCSHHJIGE-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.17
Rot. Bonds7

About 4-[[[2-[(4-cyano-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide

4-[[[2-[(4-cyano-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide (PubChem CID 47075344) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 4-[[[2-[(4-cyano-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[2-[(4-cyano-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
PubChem CID47075344
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name4-[[[2-[(4-cyano-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1
InChIInChI=1S/C22H22N6O2/c1-24-22(30)17-10-8-16(9-11-17)14-27(2)15-20(29)26-21-18(12-23)13-25-28(21)19-6-4-3-5-7-19/h3-11,13H,14-15H2,1-2H3,(H,24,30)(H,26,29)
InChIKeyBSSKTMCSHHJIGE-UHFFFAOYSA-N
XLogP2.17
TPSA103.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[[2-[(4-cyano-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyanophenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 17441369
4-[[[2-(dibenzylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9003318
ethyl 5-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]-1-phenylpyrazole-4-carboxylate
CID 55446785
N-(4-cyano-1-phenylpyrazol-5-yl)-1-ethylpyrazole-4-carboxamide
CID 19281155
methyl 2-[(4-cyano-1-phenylpyrazol-5-yl)carbamoyl]benzoate
CID 108798676
N-methyl-4-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]benzamide
CID 9003162
N-(4-cyano-1-phenylpyrazol-5-yl)-2-(2,3-dihydroindol-1-yl)acetamide
CID 47811081
2-[(4-bromophenyl)methyl-methylamino]-N-(2-cyanophenyl)acetamide
CID 2657318
N-methyl-4-[[methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]methyl]benzamide
CID 9125891
N-(4-cyano-1-phenylpyrazol-5-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 19474111
N-methyl-4-[[methyl-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]amino]methyl]benzamide
CID 9003185
4-[[[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 37213846

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-[(4-cyano-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[2-[(4-cyano-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide (CID 47075344) is 4-[[[2-[(4-cyano-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[2-[(4-cyano-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[2-[(4-cyano-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1.
What is the InChIKey of 4-[[[2-[(4-cyano-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide?
The InChIKey is BSSKTMCSHHJIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-24-22(30)17-10-8-16(9-11-17)14-27(2)15-20(29)26-21-18(12-23)13-25-28(21)19-6-4-3-5-7-19/h3-11,13H,14-15H2,1-2H3,(H,24,30)(H,26,29).
What are the key properties of 4-[[[2-[(4-cyano-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide?
4-[[[2-[(4-cyano-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide has a molecular weight of 402.46 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-[(4-cyano-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 47075344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).