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Chemical ID: 6347641
Chemical ID:
6347641
Name [?]:
N-(4-pyridylmethyl)butanamide
SMILES [?]:
CCCC(=O)NCc1ccncc1
InChi [?]:
InChI=1/C10H14N2O/c1-2-3-10(13)12-8-9-4-6-11-7-5-9/h4-7H,2-3,8H2,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,3,9,13,10,12,7,8,4,11,6,5/E:(4,5)(6,7)/rA:13nCCCCONCCCCNCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14N2O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.99666 |
Area: | 375.498 |
Solvation: | -2.39078 |
Coulombic: | -24.9451 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 178.231 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 0.99 |
LogP (Chemaxon): | 0.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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