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Chemical ID: 6387656
Chemical ID:
6387656
Name [?]:
2-chloro-N,N-diisopropyl-pyridine-3-carboxamide
SMILES [?]:
CC(C)N(C(C)C)C(=O)c1cccnc1Cl
InChi [?]:
InChI=1/C12H17ClN2O/c1-8(2)15(9(3)4)12(16)10-6-5-7-14-11(10)13/h5-9H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,6,7,12,11,13,2,5,10,15,8,16,14,4,9/E:(1,2,3,4)(8,9)/rA:16nCCCNCCCCOCCCCNCCl/rB:s1;s2;s2;s4;s5;s5;s4;d8;s8;s10;d11;s12;d13;d10s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17ClN2O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.89875 |
Area: | 398.348 |
Solvation: | -2.05995 |
Coulombic: | -23.1974 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 240.729 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.79 |
LogP (Chemaxon): | 2.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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