Chemical ID: 4241897

COc1c2ccccc2ccc1C(=O)NCc3cccnc3
Chemical ID:
4241897
Name [?]:
1-methoxy-N-(3-pyridylmethyl)naphthalene-2-carboxamide
SMILES [?]:
COc1c2ccccc2ccc1C(=O)NCc3cccnc3
InChi [?]:
InChI=1/C18H16N2O2/c1-22-17-15-7-3-2-6-14(15)8-9-16(17)18(21)20-12-13-5-4-10-19-11-13/h2-11H,12H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,7,6,19,18,8,5,10,11,20,22,16,17,9,4,12,3,13,21,15,14,2/rA:22nCOCCCCCCCCCCCONCCCCCNC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;d3s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N2O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.37649
Area:492.324
Solvation:-3.93161
Coulombic:-34.9021
Bond Count [?]
All:24
Single:15
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:292.332
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.07
LogP (Chemaxon):2.16

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