Chemical ID: 6211771

CC1=C(C(n2c(nnn2)N1)c3ccncc3)C(=O)Nc4cccnc4
Chemical ID:
6211771
Name [?]:
4-methyl-N-(3-pyridyl)-2-(4-pyridyl)-1,5,7,8,9-pentazabicyclo[4.3.0]nona-3,6,8-triene-3-carboxamide
SMILES [?]:
CC1=C(C(n2c(nnn2)N1)c3ccncc3)C(=O)Nc4cccnc4
InChi [?]:
InChI=1/C16H14N8O/c1-10-13(15(25)20-12-3-2-6-18-9-12)14(11-4-7-17-8-5-11)24-16(19-10)21-22-23-24/h2-9,14H,1H3,(H,20,25)(H,19,21,23)
InChi Info:
AuxInfo=1/1/N:1,22,21,12,16,23,13,15,25,2,11,20,3,4,17,6,14,24,10,19,7,8,9,5,18/E:(4,5)(7,8)/rA:25cCCCCNCNNNNCCCNCCCONCCCCNC/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s2s6;s4;s11;d12;s13;d14;d11s15;s3;d17;s17;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14N8O
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:8.88871
Area:504.069
Solvation:-3.71301
Coulombic:-46.6051
Bond Count [?]
All:28
Single:18
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:334.336
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:-0.37
LogP (Chemaxon):-0.35

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