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Chemical ID: 4114641
Chemical ID:
4114641
Name [?]:
N-[4-(3-methylbenzoyl)aminophenyl]pyridine-3-carboxamide
SMILES [?]:
Cc1cccc(c1)C(=O)Nc2ccc(cc2)NC(=O)c3cccnc3
InChi [?]:
InChI=1/C20H17N3O2/c1-14-4-2-5-15(12-14)19(24)22-17-7-9-18(10-8-17)23-20(25)16-6-3-11-21-13-16/h2-13H,1H3,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,4,22,3,5,21,12,16,13,15,23,7,25,2,6,20,11,14,8,18,24,10,17,9,19/E:(7,8)(9,10)/rA:25nCCCCCCCCONCCCCCCNCOCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;s17;d18;s18;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17N3O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4432 |
Area: | 558.255 |
Solvation: | -3.51313 |
Coulombic: | -47.8366 |
Bond Count [?]
All: | 27 |
Single: | 16 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 331.368 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.73 |
LogP (Chemaxon): | 3.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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