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Chemical ID: 3856248
Chemical ID:
3856248
Name [?]:
N-[2,5-diethoxy-4-(4-methoxybenzoyl)amino-phenyl]pyridine-3-carboxamide
SMILES [?]:
CCOc1cc(c(cc1NC(=O)c2ccc(cc2)OC)OCC)NC(=O)c3cccnc3
InChi [?]:
InChI=1/C24H25N3O5/c1-4-31-21-14-20(27-24(29)17-7-6-12-25-15-17)22(32-5-2)13-19(21)26-23(28)16-8-10-18(30-3)11-9-16/h6-15H,4-5H2,1-3H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,23,20,2,22,29,28,14,18,15,17,30,8,5,32,13,27,16,9,6,4,7,11,25,31,10,24,12,26,19,3,21/E:(8,9)(10,11)/rA:32nCCOCCCCCCNCOCCCCCCOCOCCNCOCCCCNC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s19;s7;s21;s22;s6;s24;d25;s25;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H25N3O5 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3397 |
Area: | 685.838 |
Solvation: | -5.80619 |
Coulombic: | -69.691 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 435.473 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 2.88 |
LogP (Chemaxon): | 2.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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