Chemical ID: 6380568

c1ccnc(c1)CNC(=O)CCC2CCCC2
Chemical ID:
6380568
Name [?]:
3-cyclopentyl-N-(2-pyridylmethyl)propanamide
SMILES [?]:
c1ccnc(c1)CNC(=O)CCC2CCCC2
InChi [?]:
InChI=1/C14H20N2O/c17-14(9-8-12-5-1-2-6-12)16-11-13-7-3-4-10-15-13/h3-4,7,10,12H,1-2,5-6,8-9,11H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:15,16,1,2,14,17,6,12,11,3,7,13,5,9,4,8,10/E:(1,2)(5,6)/rA:17nCCCNCCCNCOCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;s12;s13;s14;s15;s13s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20N2O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.99489
Area:452.056
Solvation:-2.3065
Coulombic:-26.2029
Bond Count [?]
All:18
Single:14
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:232.321
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.95
LogP (Chemaxon):1.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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