Chemical ID: 5892016

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

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Descriptor Annotations

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