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

C14H18N4O — CID 82737536

IUPACN-[2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
SMILESCCc1cccnc1-c1noc(CCNC2CC2)n1
InChIInChI=1S/C14H18N4O/c1-2-10-4-3-8-16-13(10)14-17-12(19-18-14)7-9-15-11-5-6-11/h3-4,8,11,15H,2,5-7,9H2,1H3
InChIKeyPGZJHFQIFIHTPY-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.99
Rot. Bonds6

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

N-[2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine (PubChem CID 82737536) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
PubChem CID82737536
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
SMILESCCc1cccnc1-c1noc(CCNC2CC2)n1
InChIInChI=1S/C14H18N4O/c1-2-10-4-3-8-16-13(10)14-17-12(19-18-14)7-9-15-11-5-6-11/h3-4,8,11,15H,2,5-7,9H2,1H3
InChIKeyPGZJHFQIFIHTPY-UHFFFAOYSA-N
XLogP1.99
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-ethyl-2-pyridinyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
CID 82737296
6-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 82736599
5-(azetidin-3-ylmethyl)-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole
CID 82736501
N-[2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 115533103
5-chloro-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole
CID 82741728
2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 106526504
N-[[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 82740689
3-(3-ethyl-2-pyridinyl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 82730556
N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 62716288
2-[[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
CID 82730434
2-[[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine
CID 82736496
1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
CID 82741272

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine (CID 82737536) is N-[2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine is CCc1cccnc1-c1noc(CCNC2CC2)n1.
What is the InChIKey of N-[2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
The InChIKey is PGZJHFQIFIHTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-10-4-3-8-16-13(10)14-17-12(19-18-14)7-9-15-11-5-6-11/h3-4,8,11,15H,2,5-7,9H2,1H3.
What are the key properties of N-[2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
N-[2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine has a molecular weight of 258.32 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 82737536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).