N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide

C16H19N9O2 — CID 72719831

IUPACN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
SMILESCc1noc(CNC(=O)C2CCCN(c3cc(-n4cncn4)ncn3)C2)n1
InChIInChI=1S/C16H19N9O2/c1-11-22-15(27-23-11)6-18-16(26)12-3-2-4-24(7-12)13-5-14(20-9-19-13)25-10-17-8-21-25/h5,8-10,12H,2-4,6-7H2,1H3,(H,18,26)
InChIKeyUHJVEDGZDJSILF-UHFFFAOYSA-N
MW369.39 g/mol
LogP0.28
Rot. Bonds5

About N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide (PubChem CID 72719831) has the molecular formula C16H19N9O2 and a molecular weight of 369.39 g/mol. Its IUPAC name is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
PubChem CID72719831
Molecular FormulaC16H19N9O2
Molecular Weight369.39 g/mol
Exact Mass369.17
IUPAC NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
SMILESCc1noc(CNC(=O)C2CCCN(c3cc(-n4cncn4)ncn3)C2)n1
InChIInChI=1S/C16H19N9O2/c1-11-22-15(27-23-11)6-18-16(26)12-3-2-4-24(7-12)13-5-14(20-9-19-13)25-10-17-8-21-25/h5,8-10,12H,2-4,6-7H2,1H3,(H,18,26)
InChIKeyUHJVEDGZDJSILF-UHFFFAOYSA-N
XLogP0.28
TPSA127.75 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide (CID 72719831) is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide is Cc1noc(CNC(=O)C2CCCN(c3cc(-n4cncn4)ncn3)C2)n1.
What is the InChIKey of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide?
The InChIKey is UHJVEDGZDJSILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N9O2/c1-11-22-15(27-23-11)6-18-16(26)12-3-2-4-24(7-12)13-5-14(20-9-19-13)25-10-17-8-21-25/h5,8-10,12H,2-4,6-7H2,1H3,(H,18,26).
What are the key properties of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide?
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide has a molecular weight of 369.39 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 72719831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).