Chemical ID: 6378236

CC(C)C(=NNC(=O)c1cccnc1)c2ccccc2
Chemical ID:
6378236
Name [?]:
N-(2-methyl-1-phenyl-propylidene)aminopyridine-3-carboxamide
SMILES [?]:
CC(C)C(=NNC(=O)c1cccnc1)c2ccccc2
InChi [?]:
InChI=1/C16H17N3O/c1-12(2)15(13-7-4-3-5-8-13)18-19-16(20)14-9-6-10-17-11-14/h3-12H,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,18,17,19,11,16,20,10,12,14,2,15,9,4,7,13,5,6,8/E:(1,2)(4,5)(7,8)/rA:20nCCCCNNCOCCCCNCCCCCCC/rB:s1;s2;s2;w4;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s4;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17N3O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.55586
Area:478.442
Solvation:-3.4052
Coulombic:-25.3236
Bond Count [?]
All:21
Single:13
Double:8
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:267.326
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.43
LogP (Chemaxon):2.76

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Descriptor Annotations

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