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

C24H26N6O2 — CID 53327488

IUPAC2-methyl-N-[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-adamantyl]pyrimidine-4-carboxamide
SMILESCc1ccc(-c2noc(C34CC5CC(CC(NC(=O)c6ccnc(C)n6)(C5)C3)C4)n2)cn1
InChIInChI=1S/C24H26N6O2/c1-14-3-4-18(12-26-14)20-28-22(32-30-20)23-8-16-7-17(9-23)11-24(10-16,13-23)29-21(31)19-5-6-25-15(2)27-19/h3-6,12,16-17H,7-11,13H2,1-2H3,(H,29,31)
InChIKeyDSOZQODQRGGKSY-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.56
Rot. Bonds4

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

2-methyl-N-[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-adamantyl]pyrimidine-4-carboxamide (PubChem CID 53327488) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 2-methyl-N-[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-adamantyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-adamantyl]pyrimidine-4-carboxamide
PubChem CID53327488
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name2-methyl-N-[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-adamantyl]pyrimidine-4-carboxamide
SMILESCc1ccc(-c2noc(C34CC5CC(CC(NC(=O)c6ccnc(C)n6)(C5)C3)C4)n2)cn1
InChIInChI=1S/C24H26N6O2/c1-14-3-4-18(12-26-14)20-28-22(32-30-20)23-8-16-7-17(9-23)11-24(10-16,13-23)29-21(31)19-5-6-25-15(2)27-19/h3-6,12,16-17H,7-11,13H2,1-2H3,(H,29,31)
InChIKeyDSOZQODQRGGKSY-UHFFFAOYSA-N
XLogP3.56
TPSA106.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-adamantyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-N-[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-adamantyl]pyrimidine-4-carboxamide (CID 53327488) is 2-methyl-N-[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-adamantyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-adamantyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-adamantyl]pyrimidine-4-carboxamide is Cc1ccc(-c2noc(C34CC5CC(CC(NC(=O)c6ccnc(C)n6)(C5)C3)C4)n2)cn1.
What is the InChIKey of 2-methyl-N-[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-adamantyl]pyrimidine-4-carboxamide?
The InChIKey is DSOZQODQRGGKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-14-3-4-18(12-26-14)20-28-22(32-30-20)23-8-16-7-17(9-23)11-24(10-16,13-23)29-21(31)19-5-6-25-15(2)27-19/h3-6,12,16-17H,7-11,13H2,1-2H3,(H,29,31).
What are the key properties of 2-methyl-N-[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-adamantyl]pyrimidine-4-carboxamide?
2-methyl-N-[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-adamantyl]pyrimidine-4-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 3.56, 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-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-adamantyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 53327488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).