N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(1,3,4-oxadiazol-2-yl)benzamide

C26H27N7O3 — CID 90456284

IUPACN-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(1,3,4-oxadiazol-2-yl)benzamide
SMILESCCNc1nc(-c2cc(NC(=O)c3cccc(-c4nnco4)c3)ccc2C)cc(N2CCOCC2)n1
InChIInChI=1S/C26H27N7O3/c1-3-27-26-30-22(15-23(31-26)33-9-11-35-12-10-33)21-14-20(8-7-17(21)2)29-24(34)18-5-4-6-19(13-18)25-32-28-16-36-25/h4-8,13-16H,3,9-12H2,1-2H3,(H,29,34)(H,27,30,31)
InChIKeyBHSNGSBPODQPHU-UHFFFAOYSA-N
MW485.55 g/mol
LogP4.02
Rot. Bonds7

About N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(1,3,4-oxadiazol-2-yl)benzamide

N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 90456284) has the molecular formula C26H27N7O3 and a molecular weight of 485.55 g/mol. Its IUPAC name is N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(1,3,4-oxadiazol-2-yl)benzamide
PubChem CID90456284
Molecular FormulaC26H27N7O3
Molecular Weight485.55 g/mol
Exact Mass485.22
IUPAC NameN-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(1,3,4-oxadiazol-2-yl)benzamide
SMILESCCNc1nc(-c2cc(NC(=O)c3cccc(-c4nnco4)c3)ccc2C)cc(N2CCOCC2)n1
InChIInChI=1S/C26H27N7O3/c1-3-27-26-30-22(15-23(31-26)33-9-11-35-12-10-33)21-14-20(8-7-17(21)2)29-24(34)18-5-4-6-19(13-18)25-32-28-16-36-25/h4-8,13-16H,3,9-12H2,1-2H3,(H,29,34)(H,27,30,31)
InChIKeyBHSNGSBPODQPHU-UHFFFAOYSA-N
XLogP4.02
TPSA118.30 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.55
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(1,3,4-oxadiazol-2-yl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(1,3,4-oxadiazol-2-yl)benzamide (CID 90456284) is N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(1,3,4-oxadiazol-2-yl)benzamide is CCNc1nc(-c2cc(NC(=O)c3cccc(-c4nnco4)c3)ccc2C)cc(N2CCOCC2)n1.
What is the InChIKey of N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is BHSNGSBPODQPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O3/c1-3-27-26-30-22(15-23(31-26)33-9-11-35-12-10-33)21-14-20(8-7-17(21)2)29-24(34)18-5-4-6-19(13-18)25-32-28-16-36-25/h4-8,13-16H,3,9-12H2,1-2H3,(H,29,34)(H,27,30,31).
What are the key properties of N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(1,3,4-oxadiazol-2-yl)benzamide?
N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 485.55 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 90456284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).