Chemical ID: 6482708

c1ccc(c(c1)C(=O)N2CCC(CC2)c3nc(no3)c4ccncc4)N
Chemical ID:
6482708
Name [?]:
(2-aminophenyl)-[4-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
c1ccc(c(c1)C(=O)N2CCC(CC2)c3nc(no3)c4ccncc4)N
InChi [?]:
InChI=1/C19H19N5O2/c20-16-4-2-1-3-15(16)19(25)24-11-7-14(8-12-24)18-22-17(23-26-18)13-5-9-21-10-6-13/h1-6,9-10,14H,7-8,11-12,20H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,21,25,11,13,22,24,10,14,20,12,5,4,17,15,7,26,23,16,18,9,8,19/E:(5,6)(7,8)(9,10)(11,12)/rA:26nCCCCCCCONCCCCCCNCNOCCCNCCN/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s9s13;s12;d15;s16;d17;s15s18;s17;s20;d21;s22;d23;d20s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19N5O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.4669
Area:558.699
Solvation:-3.50057
Coulombic:-49.9763
Bond Count [?]
All:29
Single:20
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:349.387
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.31
LogP (Chemaxon):2.03

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Descriptor Annotations

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