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Chemical ID: 5892016
Chemical ID:
5892016
Name [?]:
5-butanoylamino-2-(1-piperidyl)-N-(3-pyridylmethyl)benzamide
SMILES [?]:
CCCC(=O)Nc1ccc(c(c1)C(=O)NCc2cccnc2)N3CCCCC3
InChi [?]:
InChI=1/C22H28N4O2/c1-2-7-21(27)25-18-9-10-20(26-12-4-3-5-13-26)19(14-18)22(28)24-16-17-8-6-11-23-15-17/h6,8-11,14-15H,2-5,7,12-13,16H2,1H3,(H,24,28)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,2,26,25,27,19,3,18,8,9,20,24,28,12,22,16,17,7,11,10,4,13,21,15,6,23,5,14/E:(4,5)(12,13)/rA:28nCCCCONCCCCCCCONCCCCCNCNCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s11;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s10;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H28N4O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2171 |
Area: | 631.096 |
Solvation: | -4.56033 |
Coulombic: | -51.2971 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 380.483 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.03 |
LogP (Chemaxon): | 2.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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