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

C13H18N4O — CID 71908460

IUPACN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine
SMILESCCc1nc(CN(C)C(C)c2cccnc2)no1
InChIInChI=1S/C13H18N4O/c1-4-13-15-12(16-18-13)9-17(3)10(2)11-6-5-7-14-8-11/h5-8,10H,4,9H2,1-3H3
InChIKeyVRCQVPPJWHEUCA-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.22
Rot. Bonds5

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

N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine (PubChem CID 71908460) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine
PubChem CID71908460
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine
SMILESCCc1nc(CN(C)C(C)c2cccnc2)no1
InChIInChI=1S/C13H18N4O/c1-4-13-15-12(16-18-13)9-17(3)10(2)11-6-5-7-14-8-11/h5-8,10H,4,9H2,1-3H3
InChIKeyVRCQVPPJWHEUCA-UHFFFAOYSA-N
XLogP2.22
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 143947974
N-[(3-chloro-4-pyridinyl)methyl]-N-methyl-1-pyridin-3-ylethanamine
CID 77080069
(1R)-N-[(3-chloro-4-pyridinyl)methyl]-N-methyl-1-pyridin-3-ylethanamine
CID 99820131
(1R)-N-[(2,3-dimethylimidazol-4-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine
CID 99948670
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-(4-pyridin-3-ylphenyl)methanamine
CID 131904242
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(4-chlorophenyl)-N-methylethanamine;hydrochloride
CID 120750945
N,N-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridin-3-ylmethanamine
CID 154770051
(1R)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-pyridin-3-ylethanamine
CID 95119543
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine
CID 56760298
(1S)-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 124756260
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
CID 3480488
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-1-(2-methylphenyl)ethanamine;hydrochloride
CID 120750955

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine?
The IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine (CID 71908460) is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine.
What is the SMILES notation for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine?
The canonical SMILES for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine is CCc1nc(CN(C)C(C)c2cccnc2)no1.
What is the InChIKey of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine?
The InChIKey is VRCQVPPJWHEUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-4-13-15-12(16-18-13)9-17(3)10(2)11-6-5-7-14-8-11/h5-8,10H,4,9H2,1-3H3.
What are the key properties of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine?
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine has a molecular weight of 246.31 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine is sourced from PubChem (CID 71908460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).