CC(C)(C)c1cccc(NC(=O)c2ccc(N3CCNCC3)nc2)c1
Name: N-(3-tert-butylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide
SMILES: CC(C)(C)c1cccc(NC(=O)c2ccc(N3CCNCC3)nc2)c1

Molecular Processing

Molecular formula
C20H26N4O
Molecular weight
338.46
Exact mass
338.2107
XLogP
3.04
TPSA
57.26
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
102.41

Supplementary Information

InChIKey: FUYZDPURVJQCRO-UHFFFAOYSA-N
Synonyme
SCHEMBL2302882FUYZDPURVJQCRO-UHFFFAOYSA-NN-(3-tert-Butyl-phenyl)-6-piperazin-1-yl-nicotinamide
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