3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide

C20H22N6O2 — CID 119046373

IUPAC3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide
SMILESCc1cc(CNC(=O)c2cccc(-c3noc(C4CC4)n3)c2)nc(N(C)C)n1
InChIInChI=1S/C20H22N6O2/c1-12-9-16(23-20(22-12)26(2)3)11-21-18(27)15-6-4-5-14(10-15)17-24-19(28-25-17)13-7-8-13/h4-6,9-10,13H,7-8,11H2,1-3H3,(H,21,27)
InChIKeyXIRSGMVRUZWPHY-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.71
Rot. Bonds6

About 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide

3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide (PubChem CID 119046373) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide
PubChem CID119046373
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide
SMILESCc1cc(CNC(=O)c2cccc(-c3noc(C4CC4)n3)c2)nc(N(C)C)n1
InChIInChI=1S/C20H22N6O2/c1-12-9-16(23-20(22-12)26(2)3)11-21-18(27)15-6-4-5-14(10-15)17-24-19(28-25-17)13-7-8-13/h4-6,9-10,13H,7-8,11H2,1-3H3,(H,21,27)
InChIKeyXIRSGMVRUZWPHY-UHFFFAOYSA-N
XLogP2.71
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]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

3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[2-(methylamino)propyl]benzamide
CID 120829153
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-propylsulfonylbenzamide
CID 99812815
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide
CID 71870115
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-ethylphenyl)benzamide
CID 50779132
2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide
CID 91967581
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 53032993
3-(2-chlorophenyl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122354190
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(2R,4R)-2-(2-methylpropyl)oxan-4-yl]benzamide
CID 97338297
2-bromo-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide
CID 122354191
tert-butyl (2S)-2-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]-3-methylbutanoate
CID 176584871
N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3-(dimethylamino)benzamide
CID 53042315
N-[6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]acetamide
CID 139412760

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide?
The IUPAC name of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide (CID 119046373) is 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide.
What is the SMILES notation for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide?
The canonical SMILES for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide is Cc1cc(CNC(=O)c2cccc(-c3noc(C4CC4)n3)c2)nc(N(C)C)n1.
What is the InChIKey of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide?
The InChIKey is XIRSGMVRUZWPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-12-9-16(23-20(22-12)26(2)3)11-21-18(27)15-6-4-5-14(10-15)17-24-19(28-25-17)13-7-8-13/h4-6,9-10,13H,7-8,11H2,1-3H3,(H,21,27).
What are the key properties of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide?
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide has a molecular weight of 378.44 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide is sourced from PubChem (CID 119046373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).