Chemical ID: 4114641

Cc1cccc(c1)C(=O)Nc2ccc(cc2)NC(=O)c3cccnc3
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

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Descriptor Annotations

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