N-[(6-methyl-2-pyridinyl)methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide

C16H22N4O2 — CID 87041751

IUPACN-[(6-methyl-2-pyridinyl)methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCCCc1noc(CCCC(=O)NCc2cccc(C)n2)n1
InChIInChI=1S/C16H22N4O2/c1-3-6-14-19-16(22-20-14)10-5-9-15(21)17-11-13-8-4-7-12(2)18-13/h4,7-8H,3,5-6,9-11H2,1-2H3,(H,17,21)
InChIKeyKSYMXSDOKVKUKT-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.36
Rot. Bonds8

About N-[(6-methyl-2-pyridinyl)methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide

N-[(6-methyl-2-pyridinyl)methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 87041751) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[(6-methyl-2-pyridinyl)methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[(6-methyl-2-pyridinyl)methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID87041751
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-[(6-methyl-2-pyridinyl)methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCCCc1noc(CCCC(=O)NCc2cccc(C)n2)n1
InChIInChI=1S/C16H22N4O2/c1-3-6-14-19-16(22-20-14)10-5-9-15(21)17-11-13-8-4-7-12(2)18-13/h4,7-8H,3,5-6,9-11H2,1-2H3,(H,17,21)
InChIKeyKSYMXSDOKVKUKT-UHFFFAOYSA-N
XLogP2.36
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide (CID 87041751) is N-[(6-methyl-2-pyridinyl)methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-[(6-methyl-2-pyridinyl)methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-[(6-methyl-2-pyridinyl)methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide is CCCc1noc(CCCC(=O)NCc2cccc(C)n2)n1.
What is the InChIKey of N-[(6-methyl-2-pyridinyl)methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is KSYMXSDOKVKUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-3-6-14-19-16(22-20-14)10-5-9-15(21)17-11-13-8-4-7-12(2)18-13/h4,7-8H,3,5-6,9-11H2,1-2H3,(H,17,21).
What are the key properties of N-[(6-methyl-2-pyridinyl)methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
N-[(6-methyl-2-pyridinyl)methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 302.38 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-pyridinyl)methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 87041751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).