Chemical ID: 4841880

c1ccnc(c1)C(=O)NCCCNCCCNC(=O)c2ccccn2
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

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Descriptor Annotations

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