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Chemical ID: 3929886
Chemical ID:
3929886
Name [?]:
N-[5-(2-phenylacetyl)amino-2-pyridyl]propanamide
SMILES [?]:
CCC(=O)Nc1ccc(cn1)NC(=O)Cc2ccccc2
InChi [?]:
InChI=1/C16H17N3O2/c1-2-15(20)19-14-9-8-13(11-17-14)18-16(21)10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,18,21)(H,17,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,19,18,20,17,21,8,7,15,10,16,9,6,3,13,11,12,5,4,14/E:(4,5)(6,7)/rA:21nCCCONCCCCCNNCOCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17N3O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.76634 |
Area: | 497.534 |
Solvation: | -4.67201 |
Coulombic: | -43.3316 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 283.325 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.37 |
LogP (Chemaxon): | 2.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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