Chemical ID: 5892054

COCC(=O)Nc1ccc(c(c1)C(=O)NCc2cccnc2)N3CCCCC3
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

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Descriptor Annotations

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