2-methyl-N-[3-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-adamantyl]pyrimidine-4-carboxamide

C24H23F3N6O2 — CID 53327536

IUPAC2-methyl-N-[3-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-adamantyl]pyrimidine-4-carboxamide
SMILESCc1nccc(C(=O)NC23CC4CC(C2)CC(c2nnc(-c5ccc(C(F)(F)F)nc5)o2)(C4)C3)n1
InChIInChI=1S/C24H23F3N6O2/c1-13-28-5-4-17(30-13)19(34)31-23-9-14-6-15(10-23)8-22(7-14,12-23)21-33-32-20(35-21)16-2-3-18(29-11-16)24(25,26)27/h2-5,11,14-15H,6-10,12H2,1H3,(H,31,34)
InChIKeyHORBGQCJUGYWNO-UHFFFAOYSA-N
MW484.48 g/mol
LogP4.27
Rot. Bonds4

About 2-methyl-N-[3-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-adamantyl]pyrimidine-4-carboxamide

2-methyl-N-[3-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-adamantyl]pyrimidine-4-carboxamide (PubChem CID 53327536) has the molecular formula C24H23F3N6O2 and a molecular weight of 484.48 g/mol. Its IUPAC name is 2-methyl-N-[3-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-adamantyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-adamantyl]pyrimidine-4-carboxamide
PubChem CID53327536
Molecular FormulaC24H23F3N6O2
Molecular Weight484.48 g/mol
Exact Mass484.18
IUPAC Name2-methyl-N-[3-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-adamantyl]pyrimidine-4-carboxamide
SMILESCc1nccc(C(=O)NC23CC4CC(C2)CC(c2nnc(-c5ccc(C(F)(F)F)nc5)o2)(C4)C3)n1
InChIInChI=1S/C24H23F3N6O2/c1-13-28-5-4-17(30-13)19(34)31-23-9-14-6-15(10-23)8-22(7-14,12-23)21-33-32-20(35-21)16-2-3-18(29-11-16)24(25,26)27/h2-5,11,14-15H,6-10,12H2,1H3,(H,31,34)
InChIKeyHORBGQCJUGYWNO-UHFFFAOYSA-N
XLogP4.27
TPSA106.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.48
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-N-[3-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-adamantyl]pyrimidine-4-carboxamide 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 2-methyl-N-[3-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-adamantyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-N-[3-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-adamantyl]pyrimidine-4-carboxamide (CID 53327536) is 2-methyl-N-[3-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-adamantyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-adamantyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-[3-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-adamantyl]pyrimidine-4-carboxamide is Cc1nccc(C(=O)NC23CC4CC(C2)CC(c2nnc(-c5ccc(C(F)(F)F)nc5)o2)(C4)C3)n1.
What is the InChIKey of 2-methyl-N-[3-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-adamantyl]pyrimidine-4-carboxamide?
The InChIKey is HORBGQCJUGYWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O2/c1-13-28-5-4-17(30-13)19(34)31-23-9-14-6-15(10-23)8-22(7-14,12-23)21-33-32-20(35-21)16-2-3-18(29-11-16)24(25,26)27/h2-5,11,14-15H,6-10,12H2,1H3,(H,31,34).
What are the key properties of 2-methyl-N-[3-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-adamantyl]pyrimidine-4-carboxamide?
2-methyl-N-[3-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-adamantyl]pyrimidine-4-carboxamide has a molecular weight of 484.48 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-adamantyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 53327536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).