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Chemical ID: 5892054
Chemical ID:
5892054
Name [?]:
5-(2-methoxyacetyl)amino-2-(1-piperidyl)-N-(3-pyridylmethyl)benzamide
SMILES [?]:
COCC(=O)Nc1ccc(c(c1)C(=O)NCc2cccnc2)N3CCCCC3
InChi [?]:
InChI=1/C21H26N4O3/c1-28-15-20(26)24-17-7-8-19(25-10-3-2-4-11-25)18(12-17)21(27)23-14-16-6-5-9-22-13-16/h5-9,12-13H,2-4,10-11,14-15H2,1H3,(H,23,27)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,26,25,27,19,18,8,9,20,24,28,12,22,16,3,17,7,11,10,4,13,21,15,6,23,5,14,2/E:(3,4)(10,11)/rA:28nCOCCONCCCCCCCONCCCCCNCNCCCCC/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: | C21H26N4O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.68702 |
Area: | 624.803 |
Solvation: | -6.93305 |
Coulombic: | -58.5039 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 382.456 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.69 |
LogP (Chemaxon): | 1.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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