N,4-dimethyl-3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide

C15H16N6O — CID 23400213

IUPACN,4-dimethyl-3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
SMILESCNC(=O)c1ccc(C)c(Nc2ncnc3c2cnn3C)c1
InChIInChI=1S/C15H16N6O/c1-9-4-5-10(15(22)16-2)6-12(9)20-13-11-7-19-21(3)14(11)18-8-17-13/h4-8H,1-3H3,(H,16,22)(H,17,18,20)
InChIKeyPXFXJOGXQKPTTA-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.77
Rot. Bonds3

About N,4-dimethyl-3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide

N,4-dimethyl-3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide (PubChem CID 23400213) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is N,4-dimethyl-3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide.

Molecular Properties

Compound NameN,4-dimethyl-3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
PubChem CID23400213
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC NameN,4-dimethyl-3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
SMILESCNC(=O)c1ccc(C)c(Nc2ncnc3c2cnn3C)c1
InChIInChI=1S/C15H16N6O/c1-9-4-5-10(15(22)16-2)6-12(9)20-13-11-7-19-21(3)14(11)18-8-17-13/h4-8H,1-3H3,(H,16,22)(H,17,18,20)
InChIKeyPXFXJOGXQKPTTA-UHFFFAOYSA-N
XLogP1.77
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N,4-dimethyl-3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide 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

Bms-582949
CID 10409068
Y-39983
CID 11507964
Gsk 343
CID 71268957
4-methyl-3-(1-methyl-6-(pyridin-3-yl)-1H-pyrazolo(3,4-d)pyrimidin-4-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16747388
Jqez5
CID 121322599
1-ethyl-N-(phenylmethyl)-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo(3,4-b)pyridine-5-carboxamide
CID 9821178
N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 10134493
N,4-dimethyl-3-({1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)benzamide
CID 23400214
2-[6-(diethylamino)pyridin-3-yl]-1-[(1-ethyl-1H-pyrazol-3-yl)methyl]-N-methyl-1H-1,3-benzodiazole-5-carboxamide
CID 138466007
N,1-dimethyl-5-[[4-[3-methyl-4-[[(3R)-piperidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide
CID 155925936
N,1-dimethyl-5-[[4-[3-methyl-4-[[(3R)-pyrrolidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide
CID 155925937
4-{[5-(Methoxycarbamoyl)-2-Methylphenyl]amino}-5-Methyl-N-[(1s)-1-Phenylethyl]pyrrolo[2,1-F][1,2,4]triazine-6-Carboxamide
CID 10276213

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide?
The IUPAC name of N,4-dimethyl-3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide (CID 23400213) is N,4-dimethyl-3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide.
What is the SMILES notation for N,4-dimethyl-3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide?
The canonical SMILES for N,4-dimethyl-3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide is CNC(=O)c1ccc(C)c(Nc2ncnc3c2cnn3C)c1.
What is the InChIKey of N,4-dimethyl-3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide?
The InChIKey is PXFXJOGXQKPTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c1-9-4-5-10(15(22)16-2)6-12(9)20-13-11-7-19-21(3)14(11)18-8-17-13/h4-8H,1-3H3,(H,16,22)(H,17,18,20).
What are the key properties of N,4-dimethyl-3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide?
N,4-dimethyl-3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide has a molecular weight of 296.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide is sourced from PubChem (CID 23400213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).