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

C18H19N5O2 — CID 58081292

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-benzyl-1,2,4-oxadiazole-5-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1nc(Cc2ccccc2)no1
InChIInChI=1S/C18H19N5O2/c1-11-8-15(19)21-12(2)14(11)10-20-17(24)18-22-16(23-25-18)9-13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3,(H2,19,21)(H,20,24)
InChIKeyAXZFTDBLZQVAAF-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.18
Rot. Bonds5

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

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-benzyl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 58081292) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-benzyl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-benzyl-1,2,4-oxadiazole-5-carboxamide
PubChem CID58081292
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-benzyl-1,2,4-oxadiazole-5-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1nc(Cc2ccccc2)no1
InChIInChI=1S/C18H19N5O2/c1-11-8-15(19)21-12(2)14(11)10-20-17(24)18-22-16(23-25-18)9-13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3,(H2,19,21)(H,20,24)
InChIKeyAXZFTDBLZQVAAF-UHFFFAOYSA-N
XLogP2.18
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-benzyl-1,2,4-oxadiazole-5-carboxamide with MolForge

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Related Compounds

N-(6-Amino-2,4-dimethyl-pyridin-3-ylmethyl)-2-(6-methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-acetamide
CID 6426822
N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 1512155
N-(pyridin-4-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 1512156
1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(5-ethylpyridin-2-yl)methyl]-N-methylmethanamine
CID 16188589
N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 22521089
N-{3-[4-(3,4-Dimethylphenyl)piperazin-1-YL]propyl}-3-(pyridin-3-YL)-1,2,4-oxadiazole-5-carboxamide
CID 25169385
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 44448297
N~5~-{3-[2-methyl-4-(3-methylphenyl)piperazino]propyl}-3-(3-pyridyl)-1,2,4-oxadiazole-5-carboxamide
CID 44448298
N-[3-[4-(3,5-dimethylphenyl)piperazin-1-yl]propyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 44448702
N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 44448703
N-[3-(4-phenylpiperazin-1-yl)propyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 44448719
N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 44448720

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-benzyl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-benzyl-1,2,4-oxadiazole-5-carboxamide (CID 58081292) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-benzyl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-benzyl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-benzyl-1,2,4-oxadiazole-5-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1nc(Cc2ccccc2)no1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-benzyl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is AXZFTDBLZQVAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-11-8-15(19)21-12(2)14(11)10-20-17(24)18-22-16(23-25-18)9-13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3,(H2,19,21)(H,20,24).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-benzyl-1,2,4-oxadiazole-5-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-benzyl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-benzyl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 58081292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).