Chemical ID: 6336043

CC(C)C(=O)NCc1cccnc1
Chemical ID:
6336043
Name [?]:
2-methyl-N-(3-pyridylmethyl)propanamide
SMILES [?]:
CC(C)C(=O)NCc1cccnc1
InChi [?]:
InChI=1/C10H14N2O/c1-8(2)10(13)12-7-9-4-3-5-11-6-9/h3-6,8H,7H2,1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,3,10,9,11,13,7,2,8,4,12,6,5/E:(1,2)/rA:13nCCCCONCCCCCNC/rB:s1;s2;s2;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:6.9401
Area:368.238
Solvation:-2.26585
Coulombic:-25.3937
Bond Count [?]
All:13
Single:9
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:178.231
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.71
LogP (Chemaxon):0.87

Name Annotations

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Descriptor Annotations

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