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Chemical ID: 4241897
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
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Experimental Annotations
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Descriptor Annotations
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