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Chemical ID: 7022128
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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