4-amino-N-[(6-methyl-3-pyridinyl)methyl]-1,2,5-oxadiazole-3-carboxamide

C10H11N5O2 — CID 62997371

IUPAC4-amino-N-[(6-methyl-3-pyridinyl)methyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2nonc2N)cn1
InChIInChI=1S/C10H11N5O2/c1-6-2-3-7(4-12-6)5-13-10(16)8-9(11)15-17-14-8/h2-4H,5H2,1H3,(H2,11,15)(H,13,16)
InChIKeyWCMUPONDYHTRMF-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.29
Rot. Bonds3

About 4-amino-N-[(6-methyl-3-pyridinyl)methyl]-1,2,5-oxadiazole-3-carboxamide

4-amino-N-[(6-methyl-3-pyridinyl)methyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62997371) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 4-amino-N-[(6-methyl-3-pyridinyl)methyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(6-methyl-3-pyridinyl)methyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID62997371
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name4-amino-N-[(6-methyl-3-pyridinyl)methyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2nonc2N)cn1
InChIInChI=1S/C10H11N5O2/c1-6-2-3-7(4-12-6)5-13-10(16)8-9(11)15-17-14-8/h2-4H,5H2,1H3,(H2,11,15)(H,13,16)
InChIKeyWCMUPONDYHTRMF-UHFFFAOYSA-N
XLogP0.29
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(6-methyl-3-pyridinyl)methyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(6-methyl-3-pyridinyl)methyl]-1,2,5-oxadiazole-3-carboxamide (CID 62997371) is 4-amino-N-[(6-methyl-3-pyridinyl)methyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(6-methyl-3-pyridinyl)methyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(6-methyl-3-pyridinyl)methyl]-1,2,5-oxadiazole-3-carboxamide is Cc1ccc(CNC(=O)c2nonc2N)cn1.
What is the InChIKey of 4-amino-N-[(6-methyl-3-pyridinyl)methyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is WCMUPONDYHTRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-6-2-3-7(4-12-6)5-13-10(16)8-9(11)15-17-14-8/h2-4H,5H2,1H3,(H2,11,15)(H,13,16).
What are the key properties of 4-amino-N-[(6-methyl-3-pyridinyl)methyl]-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[(6-methyl-3-pyridinyl)methyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 233.23 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(6-methyl-3-pyridinyl)methyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62997371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).