Chemical ID: 7212605

Cc1c(c(n(n1)CCC(=O)NC2CC([NH2+]C(C2)(C)C)(C)C)C)Cl
Chemical ID:
7212605
Name [?]:
3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-(2,2,6,6-tetramethyl-4,5-dihydro-3H-pyridin-4-yl)-propanamide
SMILES [?]:
Cc1c(c(n(n1)CCC(=O)NC2CC([NH2+]C(C2)(C)C)(C)C)C)Cl
InChi [?]:
InChI=1/C17H29ClN4O/c1-11-15(18)12(2)22(20-11)8-7-14(23)19-13-9-16(3,4)21-17(5,6)10-13/h13,21H,7-10H2,1-6H3,(H,19,23)/p+1
InChi Info:
AuxInfo=1/1/N:1,22,18,19,20,21,8,7,17,13,2,4,12,9,3,16,14,23,11,6,15,5,10/E:(3,4,5,6)(9,10)(16,17)/rA:23nCCCCNNCCCONCCCN+CCCCCCCCl/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;s16;s16;s14;s14;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H30ClN4O+
All Atoms:53
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-17.5371
Area:570.04
Solvation:-31.7881
Coulombic:9.12021
Bond Count [?]
All:24
Single:21
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:341.899
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:2.76
LogP (Chemaxon):0.73

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Descriptor Annotations

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