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Chemical ID: 6374478
Chemical ID:
6374478
Name [?]:
N,N'-bis(4-sec-butylphenyl)pyridine-2,6-dicarboxamide
SMILES [?]:
CCC(C)c1ccc(cc1)NC(=O)c2cccc(n2)C(=O)Nc3ccc(cc3)C(C)CC
InChi [?]:
InChI=1/C27H31N3O2/c1-5-18(3)20-10-14-22(15-11-20)28-26(31)24-8-7-9-25(30-24)27(32)29-23-16-12-21(13-17-23)19(4)6-2/h7-19H,5-6H2,1-4H3,(H,28,31)(H,29,32)
InChi Info:
AuxInfo=1/1/N:1,32,4,30,2,31,16,15,17,6,10,25,27,7,9,24,28,3,29,5,26,8,23,14,18,12,20,11,22,19,13,21/E:(1,2)(3,4)(5,6)(8,9)(10,11,12,13)(14,15,16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(31,32)/gE:(1,2)/rA:32cCCCCCCCCCCNCOCCCCCNCONCCCCCCCCCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;d20;s20;s22;s23;d24;s25;d26;d23s27;s26;s29;s29;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H31N3O2 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 15.3855 |
Area: | 715.237 |
Solvation: | -2.49546 |
Coulombic: | -54.1787 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 429.554 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 6.84 |
LogP (Chemaxon): | 6.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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