ChemDB: Chemical Search
Download
Chemical ID: 4740677
Chemical ID:
4740677
Name [?]:
3-nitrido-N-(2-pyridylmethyl)propanamide
SMILES [?]:
c1ccnc(c1)CNC(=O)CC#N
InChi [?]:
InChI=1/C9H9N3O/c10-5-4-9(13)12-7-8-3-1-2-6-11-8/h1-3,6H,4,7H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,11,12,3,7,5,9,13,4,8,10/rA:13nCCCNCCCNCOCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;t12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H9N3O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.54033 |
Area: | 367.877 |
Solvation: | -3.65659 |
Coulombic: | -26.0318 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 175.187 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.15 |
LogP (Chemaxon): | 0.03 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|