Chemical ID: 3929908

CCCC(=O)Nc1ccc(cn1)NC(=O)C(C)(C)C
Chemical ID:
3929908
Name [?]:
N-(6-butanoylamino-3-pyridyl)-2,2-dimethyl-propanamide
SMILES [?]:
CCCC(=O)Nc1ccc(cn1)NC(=O)C(C)(C)C
InChi [?]:
InChI=1/C14H21N3O2/c1-5-6-12(18)17-11-8-7-10(9-15-11)16-13(19)14(2,3)4/h7-9H,5-6H2,1-4H3,(H,16,19)(H,15,17,18)
InChi Info:
AuxInfo=1/1/N:1,17,18,19,2,3,9,8,11,10,7,4,14,16,12,13,6,5,15/E:(2,3,4)/rA:19nCCCCONCCCCCNNCOCCCC/rB:s1;s2;s3;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:8.09362
Area:479.433
Solvation:-3.8922
Coulombic:-43.6521
Bond Count [?]
All:19
Single:14
Double:5
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:263.336
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.15
LogP (Chemaxon):2.96

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Descriptor Annotations

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