Chemical ID: 3930010

CC(C)C(=O)Nc1ccc(cn1)NC(=O)C(C)(C)C
Chemical ID:
3930010
Name [?]:
2,2-dimethyl-N-[6-(2-methylpropanoylamino)-3-pyridyl]-propanamide
SMILES [?]:
CC(C)C(=O)Nc1ccc(cn1)NC(=O)C(C)(C)C
InChi [?]:
InChI=1/C14H21N3O2/c1-9(2)12(18)17-11-7-6-10(8-15-11)16-13(19)14(3,4)5/h6-9H,1-5H3,(H,16,19)(H,15,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,17,18,19,9,8,11,2,10,7,4,14,16,12,13,6,5,15/E:(1,2)(3,4,5)/rA:19nCCCCONCCCCCNNCOCCCC/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21N3O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.00525
Area:472.705
Solvation:-3.81238
Coulombic:-43.9362
Bond Count [?]
All:19
Single:14
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:263.336
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:0.88
LogP (Chemaxon):3.13

Name Annotations

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Descriptor Annotations

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