Chemical ID: 6934905

CCC(C)C(=O)NCc1cccnc1
Chemical ID:
6934905
Name [?]:
2-methyl-N-(3-pyridylmethyl)butanamide
SMILES [?]:
CCC(C)C(=O)NCc1cccnc1
InChi [?]:
InChI=1/C11H16N2O/c1-3-9(2)11(14)13-8-10-5-4-6-12-7-10/h4-7,9H,3,8H2,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,4,2,11,10,12,14,8,3,9,5,13,7,6/rA:14cCCCCCONCCCCCNC/rB:s1;s2;s3;s3;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H16N2O
All Atoms:30
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:7.51483
Area:392.068
Solvation:-2.28687
Coulombic:-25.7966
Bond Count [?]
All:14
Single:10
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:192.258
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.28
LogP (Chemaxon):1.27

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Descriptor Annotations

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