3-[2-[6-(cyclopropylamino)purin-9-yl]ethenyl]-4-methyl-N-(4-methyl-2-pyridinyl)benzamide

C24H23N7O — CID 68928690

IUPAC3-[2-[6-(cyclopropylamino)purin-9-yl]ethenyl]-4-methyl-N-(4-methyl-2-pyridinyl)benzamide
SMILESCc1ccnc(NC(=O)c2ccc(C)c(C=Cn3cnc4c(NC5CC5)ncnc43)c2)c1
InChIInChI=1S/C24H23N7O/c1-15-7-9-25-20(11-15)30-24(32)18-4-3-16(2)17(12-18)8-10-31-14-28-21-22(29-19-5-6-19)26-13-27-23(21)31/h3-4,7-14,19H,5-6H2,1-2H3,(H,25,30,32)(H,26,27,29)
InChIKeyXNPDOWCNRVWKJZ-UHFFFAOYSA-N
MW425.50 g/mol
LogP4.29
Rot. Bonds6

About 3-[2-[6-(cyclopropylamino)purin-9-yl]ethenyl]-4-methyl-N-(4-methyl-2-pyridinyl)benzamide

3-[2-[6-(cyclopropylamino)purin-9-yl]ethenyl]-4-methyl-N-(4-methyl-2-pyridinyl)benzamide (PubChem CID 68928690) has the molecular formula C24H23N7O and a molecular weight of 425.50 g/mol. Its IUPAC name is 3-[2-[6-(cyclopropylamino)purin-9-yl]ethenyl]-4-methyl-N-(4-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-[2-[6-(cyclopropylamino)purin-9-yl]ethenyl]-4-methyl-N-(4-methyl-2-pyridinyl)benzamide
PubChem CID68928690
Molecular FormulaC24H23N7O
Molecular Weight425.50 g/mol
Exact Mass425.20
IUPAC Name3-[2-[6-(cyclopropylamino)purin-9-yl]ethenyl]-4-methyl-N-(4-methyl-2-pyridinyl)benzamide
SMILESCc1ccnc(NC(=O)c2ccc(C)c(C=Cn3cnc4c(NC5CC5)ncnc43)c2)c1
InChIInChI=1S/C24H23N7O/c1-15-7-9-25-20(11-15)30-24(32)18-4-3-16(2)17(12-18)8-10-31-14-28-21-22(29-19-5-6-19)26-13-27-23(21)31/h3-4,7-14,19H,5-6H2,1-2H3,(H,25,30,32)(H,26,27,29)
InChIKeyXNPDOWCNRVWKJZ-UHFFFAOYSA-N
XLogP4.29
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[2-[6-(cyclopropylamino)purin-9-yl]ethenyl]-4-methyl-N-(4-methyl-2-pyridinyl)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

N-[3-[(E)-2-[6-(4-cyanoanilino)purin-9-yl]ethenyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 68925888
3-[(E)-2-(6-anilinopurin-9-yl)ethenyl]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 68926510
4-benzamido-N-(4-methyl-2-pyridinyl)benzamide
CID 17153203
3-[6-(2-bicyclo[2.1.1]hexanylamino)purin-9-yl]-N-cyclopropyl-4-methylbenzamide
CID 70984061
1-cyclopropyl-3-(4-methyl-2-pyridinyl)urea
CID 108887621
4-iodo-N-(4-methyl-2-pyridinyl)benzamide
CID 21204751
4-[4-amino-6-[(1-prop-2-enoylpiperidin-3-yl)amino]pyrimidine-5-carboximidoyl]-N-(4-methyl-2-pyridinyl)benzamide
CID 145010942
2-(cyclopropylamino)-N-(4-methyl-2-pyridinyl)acetamide
CID 60842851
N-(4-methyl-2-pyridinyl)-4-(pentanoylamino)benzamide
CID 4630518
3-chloro-4-fluoro-N-[4-[(4-methyl-2-pyridinyl)amino]cyclohexyl]benzamide;hydrochloride
CID 69245118
N-cyclopropyl-4-methylpyridin-2-amine;ethane
CID 170575903
N-cyclopropyl-4-methyl-3-[2-[4-(3,4,5-trimethoxyanilino)thieno[3,2-d]pyrimidin-7-yl]ethenyl]benzamide
CID 67327363

Frequently Asked Questions

What is the IUPAC name of 3-[2-[6-(cyclopropylamino)purin-9-yl]ethenyl]-4-methyl-N-(4-methyl-2-pyridinyl)benzamide?
The IUPAC name of 3-[2-[6-(cyclopropylamino)purin-9-yl]ethenyl]-4-methyl-N-(4-methyl-2-pyridinyl)benzamide (CID 68928690) is 3-[2-[6-(cyclopropylamino)purin-9-yl]ethenyl]-4-methyl-N-(4-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-[2-[6-(cyclopropylamino)purin-9-yl]ethenyl]-4-methyl-N-(4-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 3-[2-[6-(cyclopropylamino)purin-9-yl]ethenyl]-4-methyl-N-(4-methyl-2-pyridinyl)benzamide is Cc1ccnc(NC(=O)c2ccc(C)c(C=Cn3cnc4c(NC5CC5)ncnc43)c2)c1.
What is the InChIKey of 3-[2-[6-(cyclopropylamino)purin-9-yl]ethenyl]-4-methyl-N-(4-methyl-2-pyridinyl)benzamide?
The InChIKey is XNPDOWCNRVWKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O/c1-15-7-9-25-20(11-15)30-24(32)18-4-3-16(2)17(12-18)8-10-31-14-28-21-22(29-19-5-6-19)26-13-27-23(21)31/h3-4,7-14,19H,5-6H2,1-2H3,(H,25,30,32)(H,26,27,29).
What are the key properties of 3-[2-[6-(cyclopropylamino)purin-9-yl]ethenyl]-4-methyl-N-(4-methyl-2-pyridinyl)benzamide?
3-[2-[6-(cyclopropylamino)purin-9-yl]ethenyl]-4-methyl-N-(4-methyl-2-pyridinyl)benzamide has a molecular weight of 425.50 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[6-(cyclopropylamino)purin-9-yl]ethenyl]-4-methyl-N-(4-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 68928690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).