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

C18H18N4O2 — CID 56711495

IUPACN-benzyl-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCc1cccc(CN(Cc2ccccc2)C(=O)c2nnc(C)o2)n1
InChIInChI=1S/C18H18N4O2/c1-13-7-6-10-16(19-13)12-22(11-15-8-4-3-5-9-15)18(23)17-21-20-14(2)24-17/h3-10H,11-12H2,1-2H3
InChIKeyIPPCZORADPHKAL-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.92
Rot. Bonds5

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

N-benzyl-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 56711495) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-benzyl-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID56711495
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-benzyl-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCc1cccc(CN(Cc2ccccc2)C(=O)c2nnc(C)o2)n1
InChIInChI=1S/C18H18N4O2/c1-13-7-6-10-16(19-13)12-22(11-15-8-4-3-5-9-15)18(23)17-21-20-14(2)24-17/h3-10H,11-12H2,1-2H3
InChIKeyIPPCZORADPHKAL-UHFFFAOYSA-N
XLogP2.92
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-benzyl-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazole-2-carboxamide (CID 56711495) is N-benzyl-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-benzyl-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-benzyl-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazole-2-carboxamide is Cc1cccc(CN(Cc2ccccc2)C(=O)c2nnc(C)o2)n1.
What is the InChIKey of N-benzyl-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is IPPCZORADPHKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-13-7-6-10-16(19-13)12-22(11-15-8-4-3-5-9-15)18(23)17-21-20-14(2)24-17/h3-10H,11-12H2,1-2H3.
What are the key properties of N-benzyl-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
N-benzyl-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 56711495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).