Chemical ID: 3930015

CCC(=O)Nc1ccc(nc1)NC(=O)C(C)C
Chemical ID:
3930015
Name [?]:
2-methyl-N-(5-propanoylamino-2-pyridyl)-propanamide
SMILES [?]:
CCC(=O)Nc1ccc(nc1)NC(=O)C(C)C
InChi [?]:
InChI=1/C12H17N3O2/c1-4-11(16)14-9-5-6-10(13-7-9)15-12(17)8(2)3/h5-8H,4H2,1-3H3,(H,14,16)(H,13,15,17)
InChi Info:
AuxInfo=1/1/N:1,16,17,2,7,8,11,15,6,9,3,13,10,5,12,4,14/E:(2,3)/rA:17nCCCONCCCCNCNCOCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17N3O2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.91397
Area:435.359
Solvation:-3.97002
Coulombic:-42.6492
Bond Count [?]
All:17
Single:12
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:235.282
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:0.38
LogP (Chemaxon):1.9

Name Annotations

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Descriptor Annotations

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