Chemical ID: 7022128

CC(C)CN1c2ccc(cc2C(=NNC(=O)c3cccnc3)C1=O)OC
Chemical ID:
7022128
Name [?]:
N-(1-isobutyl-5-methoxy-2-oxo-indolin-3-ylidene)aminopyridine-3-carboxamide
SMILES [?]:
CC(C)CN1c2ccc(cc2C(=NNC(=O)c3cccnc3)C1=O)OC
InChi [?]:
InChI=1/C19H20N4O3/c1-12(2)11-23-16-7-6-14(26-3)9-15(16)17(19(23)25)21-22-18(24)13-5-4-8-20-10-13/h4-10,12H,11H2,1-3H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,3,26,19,18,8,7,20,10,22,4,2,17,9,11,6,12,15,23,21,13,14,5,16,24,25/E:(1,2)/rA:26nCCCCNCCCCCCCNNCOCCCCNCCOOC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s11;w12;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s5s12;d23;s9;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20N4O3
All Atoms:46
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.57671
Area:565.503
Solvation:-4.56086
Coulombic:-49.3964
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:352.387
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.74
LogP (Chemaxon):2.05

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Descriptor Annotations

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