2-[(3S)-3-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide

C25H29FN6O — CID 92617482

IUPAC2-[(3S)-3-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(CC(=O)NCc3ccccn3)C2)n1
InChIInChI=1S/C25H29FN6O/c1-31(2)25-29-15-22(18-8-10-20(26)11-9-18)24(30-25)19-6-5-13-32(16-19)17-23(33)28-14-21-7-3-4-12-27-21/h3-4,7-12,15,19H,5-6,13-14,16-17H2,1-2H3,(H,28,33)/t19-/m0/s1
InChIKeyGRDLGQFXORGKTM-IBGZPJMESA-N
MW448.55 g/mol
LogP3.24
Rot. Bonds7

About 2-[(3S)-3-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide

2-[(3S)-3-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 92617482) has the molecular formula C25H29FN6O and a molecular weight of 448.55 g/mol. Its IUPAC name is 2-[(3S)-3-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-3-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID92617482
Molecular FormulaC25H29FN6O
Molecular Weight448.55 g/mol
Exact Mass448.24
IUPAC Name2-[(3S)-3-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(CC(=O)NCc3ccccn3)C2)n1
InChIInChI=1S/C25H29FN6O/c1-31(2)25-29-15-22(18-8-10-20(26)11-9-18)24(30-25)19-6-5-13-32(16-19)17-23(33)28-14-21-7-3-4-12-27-21/h3-4,7-12,15,19H,5-6,13-14,16-17H2,1-2H3,(H,28,33)/t19-/m0/s1
InChIKeyGRDLGQFXORGKTM-IBGZPJMESA-N
XLogP3.24
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3S)-3-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(3-methylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 108999232
cyclopentyl-[3-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110266500
2-[(3S)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 92615344
3-[2-(dimethylamino)-4-[1-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]piperidin-2-yl]pyrimidin-5-yl]benzamide
CID 110122693
[(3R)-3-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 92617549
[3-[5-(4-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110266472
1-[(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92618082
4-[2-(dimethylamino)-4-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 92618065
[3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-isoquinolin-1-ylmethanone
CID 110266511
2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 92626481
1-[(3R)-3-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 92617358
[(3R)-3-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 92617388

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[(3S)-3-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide (CID 92617482) is 2-[(3S)-3-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3S)-3-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(3S)-3-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide is CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(CC(=O)NCc3ccccn3)C2)n1.
What is the InChIKey of 2-[(3S)-3-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is GRDLGQFXORGKTM-IBGZPJMESA-N. The full InChI is InChI=1S/C25H29FN6O/c1-31(2)25-29-15-22(18-8-10-20(26)11-9-18)24(30-25)19-6-5-13-32(16-19)17-23(33)28-14-21-7-3-4-12-27-21/h3-4,7-12,15,19H,5-6,13-14,16-17H2,1-2H3,(H,28,33)/t19-/m0/s1.
What are the key properties of 2-[(3S)-3-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
2-[(3S)-3-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 448.55 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 92617482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).