Chemical ID: 6650301

Cc1cccc(c1)C(=O)NCC(=O)NN=Cc2ccncc2
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

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Descriptor Annotations

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