Chemical ID: 6199330

CN1CC(=Cc2ccncc2)C(=O)C(=Cc3ccncc3)C1
Chemical ID:
6199330
Name [?]:
1-methyl-3,5-bis(4-pyridylmethylene)piperidin-4-one
SMILES [?]:
CN1CC(=Cc2ccncc2)C(=O)C(=Cc3ccncc3)C1
InChi [?]:
InChI=1/C18H17N3O/c1-21-12-16(10-14-2-6-19-7-3-14)18(22)17(13-21)11-15-4-8-20-9-5-15/h2-11H,12-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,11,17,21,8,10,18,20,5,15,3,22,6,16,4,14,12,9,19,2,13/E:(2,3,4,5)(6,7,8,9)(10,11)(12,13)(14,15)(16,17)(19,20)/rA:22nCNCCCCCCNCCCOCCCCCNCCC/rB:s1;s2;s3;w4;s5;s6;d7;s8;d9;d6s10;s4;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s2s14;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17N3O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.13292
Area:484.591
Solvation:-3.98186
Coulombic:-22.3508
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:291.347
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.89
LogP (Chemaxon):1.14

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue