Chemical ID: 4689281

Cc1ccc(cc1)C(=O)Nc2cc(c(n(c2=O)N)C)c3ccn[nH]3
Chemical ID:
4689281
Name [?]:
N-[1-amino-6-methyl-2-oxo-5-(2H-pyrazol-3-yl)-3-pyridyl]-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)Nc2cc(c(n(c2=O)N)C)c3ccn[nH]3
InChi [?]:
InChI=1/C17H17N5O2/c1-10-3-5-12(6-4-10)16(23)20-15-9-13(14-7-8-19-21-14)11(2)22(18)17(15)24/h3-9H,18H2,1-2H3,(H,19,21)(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,19,3,7,4,6,21,22,12,2,14,5,13,20,11,8,16,18,23,10,24,15,9,17/E:(3,4)(5,6)/rA:24nCCCCCCCCONCCCCNCONCCCCNN/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;d11;s12;d13;s14;s11s15;d16;s15;s14;s13;d20;s21;d22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17N5O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.70635
Area:524.587
Solvation:-4.40832
Coulombic:-56.7958
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:323.349
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:2.04
LogP (Chemaxon):1.31

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue