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Chemical ID: 7253580
Chemical ID:
7253580
Name [?]:
N-(4-tert-butylphenyl)pyridine-2-carboxamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)NC(=O)c2ccccn2
InChi [?]:
InChI=1/C16H18N2O/c1-16(2,3)12-7-9-13(10-8-12)18-15(19)14-6-4-5-11-17-14/h4-11H,1-3H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,4,16,17,15,6,10,7,9,18,5,8,14,12,2,19,11,13/E:(1,2,3)(7,8)(9,10)/rA:19nCCCCCCCCCCNCOCCCCCN/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18N2O |
All Atoms: | 37 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.7162 |
Area: | 457.697 |
Solvation: | -1.72624 |
Coulombic: | -29.7674 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 254.327 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.65 |
LogP (Chemaxon): | 3.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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