Chemical ID: 6387656

CC(C)N(C(C)C)C(=O)c1cccnc1Cl
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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