Chemical ID: 4731973

CC(C)(C)C(=O)Nc1c(cccn1)C=O
Chemical ID:
4731973
Name [?]:
N-(3-formyl-2-pyridyl)-2,2-dimethyl-propanamide
SMILES [?]:
CC(C)(C)C(=O)Nc1c(cccn1)C=O
InChi [?]:
InChI=1/C11H14N2O2/c1-11(2,3)10(15)13-9-8(7-14)5-4-6-12-9/h4-7H,1-3H3,(H,12,13,15)
InChi Info:
AuxInfo=1/1/N:1,3,4,11,10,12,14,9,8,5,2,13,7,15,6/E:(1,2,3)/rA:15nCCCCCONCCCCCNCO/rB:s1;s2;s2;s2;d5;s5;s7;s8;d9;s10;d11;d8s12;s9;d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14N2O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:5.52117
Area:386.28
Solvation:-4.13583
Coulombic:-30.5708
Bond Count [?]
All:15
Single:10
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:206.241
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.62
LogP (Chemaxon):2.94

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