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Chemical ID: 6038437
Chemical ID:
6038437
Name [?]:
N-cyclopropyl-5-methyl-N-[2-(2-pyridylmethylcarbamoyl)ethyl]pyrazine-2-carboxamide
SMILES [?]:
Cc1cnc(cn1)C(=O)N(CCC(=O)NCc2ccccn2)C3CC3
InChi [?]:
InChI=1/C18H21N5O2/c1-13-10-21-16(12-20-13)18(25)23(15-5-6-15)9-7-17(24)22-11-14-4-2-3-8-19-14/h2-4,8,10,12,15H,5-7,9,11H2,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,19,20,18,24,25,12,21,11,3,16,6,2,17,23,5,13,8,22,7,4,15,10,14,9/E:(5,6)/rA:25nCCCNCCNCONCCCONCCCCCCNCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s10;s23;s23s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21N5O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5717 |
Area: | 564.053 |
Solvation: | -3.52964 |
Coulombic: | -52.6514 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 339.392 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.37 |
LogP (Chemaxon): | -0.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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