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

C23H24N6O2 — CID 67375901

IUPACN-[3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-1-adamantyl]pyrimidine-4-carboxamide
SMILESCc1ccc(-c2nnc(C34CC5CC(CC(NC(=O)c6ccncn6)(C5)C3)C4)o2)cn1
InChIInChI=1S/C23H24N6O2/c1-14-2-3-17(11-25-14)20-28-29-21(31-20)22-7-15-6-16(8-22)10-23(9-15,12-22)27-19(30)18-4-5-24-13-26-18/h2-5,11,13,15-16H,6-10,12H2,1H3,(H,27,30)
InChIKeyKDLAFDSENOUVAQ-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.25
Rot. Bonds4

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

N-[3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-1-adamantyl]pyrimidine-4-carboxamide (PubChem CID 67375901) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is N-[3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-1-adamantyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-1-adamantyl]pyrimidine-4-carboxamide
PubChem CID67375901
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC NameN-[3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-1-adamantyl]pyrimidine-4-carboxamide
SMILESCc1ccc(-c2nnc(C34CC5CC(CC(NC(=O)c6ccncn6)(C5)C3)C4)o2)cn1
InChIInChI=1S/C23H24N6O2/c1-14-2-3-17(11-25-14)20-28-29-21(31-20)22-7-15-6-16(8-22)10-23(9-15,12-22)27-19(30)18-4-5-24-13-26-18/h2-5,11,13,15-16H,6-10,12H2,1H3,(H,27,30)
InChIKeyKDLAFDSENOUVAQ-UHFFFAOYSA-N
XLogP3.25
TPSA106.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-1-adamantyl]pyrimidine-4-carboxamide?
The IUPAC name of N-[3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-1-adamantyl]pyrimidine-4-carboxamide (CID 67375901) is N-[3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-1-adamantyl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-1-adamantyl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-1-adamantyl]pyrimidine-4-carboxamide is Cc1ccc(-c2nnc(C34CC5CC(CC(NC(=O)c6ccncn6)(C5)C3)C4)o2)cn1.
What is the InChIKey of N-[3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-1-adamantyl]pyrimidine-4-carboxamide?
The InChIKey is KDLAFDSENOUVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-14-2-3-17(11-25-14)20-28-29-21(31-20)22-7-15-6-16(8-22)10-23(9-15,12-22)27-19(30)18-4-5-24-13-26-18/h2-5,11,13,15-16H,6-10,12H2,1H3,(H,27,30).
What are the key properties of N-[3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-1-adamantyl]pyrimidine-4-carboxamide?
N-[3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-1-adamantyl]pyrimidine-4-carboxamide has a molecular weight of 416.49 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-1-adamantyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 67375901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).