Chemical ID: 7253580

CC(C)(C)c1ccc(cc1)NC(=O)c2ccccn2
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue