N-[(5-ethyl-2-pyridinyl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine

C14H20N4O — CID 77087607

IUPACN-[(5-ethyl-2-pyridinyl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
SMILESCCc1ccc(CN(CC)Cc2noc(C)n2)nc1
InChIInChI=1S/C14H20N4O/c1-4-12-6-7-13(15-8-12)9-18(5-2)10-14-16-11(3)19-17-14/h6-8H,4-5,9-10H2,1-3H3
InChIKeyUPBPIMDMVWKVQD-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.36
Rot. Bonds6

About N-[(5-ethyl-2-pyridinyl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine

N-[(5-ethyl-2-pyridinyl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine (PubChem CID 77087607) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[(5-ethyl-2-pyridinyl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-ethyl-2-pyridinyl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
PubChem CID77087607
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-[(5-ethyl-2-pyridinyl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
SMILESCCc1ccc(CN(CC)Cc2noc(C)n2)nc1
InChIInChI=1S/C14H20N4O/c1-4-12-6-7-13(15-8-12)9-18(5-2)10-14-16-11(3)19-17-14/h6-8H,4-5,9-10H2,1-3H3
InChIKeyUPBPIMDMVWKVQD-UHFFFAOYSA-N
XLogP2.36
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine (CID 77087607) is N-[(5-ethyl-2-pyridinyl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-ethyl-2-pyridinyl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-ethyl-2-pyridinyl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine is CCc1ccc(CN(CC)Cc2noc(C)n2)nc1.
What is the InChIKey of N-[(5-ethyl-2-pyridinyl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The InChIKey is UPBPIMDMVWKVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-12-6-7-13(15-8-12)9-18(5-2)10-14-16-11(3)19-17-14/h6-8H,4-5,9-10H2,1-3H3.
What are the key properties of N-[(5-ethyl-2-pyridinyl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
N-[(5-ethyl-2-pyridinyl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine has a molecular weight of 260.34 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-2-pyridinyl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 77087607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).