N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-4-pyridin-3-ylpyrimidin-2-amine

C18H20N6O — CID 74248108

IUPACN-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-4-pyridin-3-ylpyrimidin-2-amine
SMILESc1cncc(-c2ccnc(NCCc3noc(C4CCCC4)n3)n2)c1
InChIInChI=1S/C18H20N6O/c1-2-5-13(4-1)17-23-16(24-25-17)8-11-21-18-20-10-7-15(22-18)14-6-3-9-19-12-14/h3,6-7,9-10,12-13H,1-2,4-5,8,11H2,(H,20,21,22)
InChIKeyRFDBFCFFOSVBHQ-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.23
Rot. Bonds6

About N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-4-pyridin-3-ylpyrimidin-2-amine

N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-4-pyridin-3-ylpyrimidin-2-amine (PubChem CID 74248108) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-4-pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-4-pyridin-3-ylpyrimidin-2-amine
PubChem CID74248108
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-4-pyridin-3-ylpyrimidin-2-amine
SMILESc1cncc(-c2ccnc(NCCc3noc(C4CCCC4)n3)n2)c1
InChIInChI=1S/C18H20N6O/c1-2-5-13(4-1)17-23-16(24-25-17)8-11-21-18-20-10-7-15(22-18)14-6-3-9-19-12-14/h3,6-7,9-10,12-13H,1-2,4-5,8,11H2,(H,20,21,22)
InChIKeyRFDBFCFFOSVBHQ-UHFFFAOYSA-N
XLogP3.23
TPSA89.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-4-pyridin-3-ylpyrimidin-2-amine with MolForge

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Related Compounds

5-(Cyclohexylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 935651
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(pyridin-3-yl)pyrimidin-4-yl]acetamide
CID 25138073
5-(3-Phenylpropyl)-3-pyridin-3-yl-1,2,4-oxadiazole
CID 705895
(3R)-6-cyclohexyl-N-hydroxy-3-[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]hexanamide
CID 10109052
(3R)-6-cyclohexyl-N-hydroxy-3-[3-(2-pyridinylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide
CID 10156141
Cyclohexanecarboxylic acid [3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-amide
CID 10292737
(3R)-3-[3-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-Nhydroxyhexanamide
CID 16748896
(3R)-6-cyclohexyl-N-hydroxy-3-{3-[6-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl}hexanamide
CID 16748897
N-(2-phenylcyclopropyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 44232522
4-(3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl)-N-(4-(trifluoromethyl)phenyl)piperidine-1-carboxamide
CID 44236320
N-(2-phenylcyclopropyl)-4-(3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 45272510
3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine
CID 56944031

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-4-pyridin-3-ylpyrimidin-2-amine?
The IUPAC name of N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-4-pyridin-3-ylpyrimidin-2-amine (CID 74248108) is N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-4-pyridin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-4-pyridin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-4-pyridin-3-ylpyrimidin-2-amine is c1cncc(-c2ccnc(NCCc3noc(C4CCCC4)n3)n2)c1.
What is the InChIKey of N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-4-pyridin-3-ylpyrimidin-2-amine?
The InChIKey is RFDBFCFFOSVBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-2-5-13(4-1)17-23-16(24-25-17)8-11-21-18-20-10-7-15(22-18)14-6-3-9-19-12-14/h3,6-7,9-10,12-13H,1-2,4-5,8,11H2,(H,20,21,22).
What are the key properties of N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-4-pyridin-3-ylpyrimidin-2-amine?
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-4-pyridin-3-ylpyrimidin-2-amine has a molecular weight of 336.40 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-4-pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 74248108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).