2-[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-N-(4-fluorophenyl)acetamide

C24H27FN6O — CID 95834120

IUPAC2-[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCc1cc(C)nc(Nc2ccc(C3CCN(CC(=O)Nc4ccc(F)cc4)CC3)nc2)n1
InChIInChI=1S/C24H27FN6O/c1-16-13-17(2)28-24(27-16)30-21-7-8-22(26-14-21)18-9-11-31(12-10-18)15-23(32)29-20-5-3-19(25)4-6-20/h3-8,13-14,18H,9-12,15H2,1-2H3,(H,29,32)(H,27,28,30)
InChIKeyVXMLGIXMUWCXGK-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.19
Rot. Bonds6

About 2-[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-N-(4-fluorophenyl)acetamide

2-[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 95834120) has the molecular formula C24H27FN6O and a molecular weight of 434.52 g/mol. Its IUPAC name is 2-[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID95834120
Molecular FormulaC24H27FN6O
Molecular Weight434.52 g/mol
Exact Mass434.22
IUPAC Name2-[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCc1cc(C)nc(Nc2ccc(C3CCN(CC(=O)Nc4ccc(F)cc4)CC3)nc2)n1
InChIInChI=1S/C24H27FN6O/c1-16-13-17(2)28-24(27-16)30-21-7-8-22(26-14-21)18-9-11-31(12-10-18)15-23(32)29-20-5-3-19(25)4-6-20/h3-8,13-14,18H,9-12,15H2,1-2H3,(H,29,32)(H,27,28,30)
InChIKeyVXMLGIXMUWCXGK-UHFFFAOYSA-N
XLogP4.19
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-N-(4-fluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-N-(4-fluorophenyl)acetamide (CID 95834120) is 2-[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-N-(4-fluorophenyl)acetamide is Cc1cc(C)nc(Nc2ccc(C3CCN(CC(=O)Nc4ccc(F)cc4)CC3)nc2)n1.
What is the InChIKey of 2-[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is VXMLGIXMUWCXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O/c1-16-13-17(2)28-24(27-16)30-21-7-8-22(26-14-21)18-9-11-31(12-10-18)15-23(32)29-20-5-3-19(25)4-6-20/h3-8,13-14,18H,9-12,15H2,1-2H3,(H,29,32)(H,27,28,30).
What are the key properties of 2-[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 434.52 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 95834120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).