CC1CCCN(C1CNC2=NC=C(C=C2)C#N)C(=O)C3=C(C=CC(=C3)C)C4=CC=CC=N4
Name: 6-[[(2S,3R)-3-methyl-1-(5-methyl-2-pyridin-2-ylbenzoyl)piperidin-2-yl]methylamino]pyridine-3-carbonitrile
SMILES: CC1CCCN(C1CNC2=NC=C(C=C2)C#N)C(=O)C3=C(C=CC(=C3)C)C4=CC=CC=N4

Molecular Processing

Molecular formula
C26H27N5O
Molecular weight
425.54
Exact mass
425.2216
XLogP
4.68
TPSA
81.91
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
125.07

Supplementary Information

InChIKey: MHCCELCMOQKEHD-NTKDMRAZSA-N
Synonyme
CHEMBL5797811SCHEMBL16278150MHCCELCMOQKEHD-NTKDMRAZSA-N6-((((2S,3R)-3-Methyl-1-(5-methyl-2-(pyridin-2-yl)benzoyl)piperidin-2-yl)methyl)amino)nicotinonitrile
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