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Chemical ID: 4841880
Chemical ID:
4841880
Name [?]:
N-[3-[3-(2-pyridylcarbonylamino)propylamino]propyl]pyridine-2-carboxamide
SMILES [?]:
c1ccnc(c1)C(=O)NCCCNCCCNC(=O)c2ccccn2
InChi [?]:
InChI=1/C18H23N5O2/c24-17(15-7-1-3-11-20-15)22-13-5-9-19-10-6-14-23-18(25)16-8-2-4-12-21-16/h1-4,7-8,11-12,19H,5-6,9-10,13-14H2,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,22,2,23,11,15,6,21,12,14,3,24,10,16,5,20,7,18,13,4,25,9,17,8,19/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(20,21)(22,23)(24,25)/gE:(1,2)/rA:25nCCCNCCCONCCCNCCCNCOCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s13;s14;s15;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23N5O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1969 |
Area: | 626.271 |
Solvation: | -3.45986 |
Coulombic: | -65.2428 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 341.408 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 0.65 |
LogP (Chemaxon): | -0.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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