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Chemical ID: 6650301
Chemical ID:
6650301
Name [?]:
3-methyl-N-(4-pyridylmethyleneaminocarbamoylmethyl)benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)NCC(=O)NN=Cc2ccncc2
InChi [?]:
InChI=1/C16H16N4O2/c1-12-3-2-4-14(9-12)16(22)18-11-15(21)20-19-10-13-5-7-17-8-6-13/h2-10H,11H2,1H3,(H,18,22)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,18,22,19,21,7,16,11,2,17,6,12,8,20,10,15,14,13,9/E:(5,6)(7,8)/rA:22nCCCCCCCCONCCONNCCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16N4O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.49751 |
Area: | 522.291 |
Solvation: | -4.55977 |
Coulombic: | -44.5144 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 296.324 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.35 |
LogP (Chemaxon): | 1.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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