2-[4,6-dimethyl-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidin-5-yl]-N-(2-fluorophenyl)acetamide

C25H28FN5O — CID 124957751

IUPAC2-[4,6-dimethyl-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidin-5-yl]-N-(2-fluorophenyl)acetamide
SMILESCc1nc([C@H]2CCCN(Cc3ccccn3)C2)nc(C)c1CC(=O)Nc1ccccc1F
InChIInChI=1S/C25H28FN5O/c1-17-21(14-24(32)30-23-11-4-3-10-22(23)26)18(2)29-25(28-17)19-8-7-13-31(15-19)16-20-9-5-6-12-27-20/h3-6,9-12,19H,7-8,13-16H2,1-2H3,(H,30,32)/t19-/m0/s1
InChIKeyGBCDQOTYWHNHAY-IBGZPJMESA-N
MW433.53 g/mol
LogP4.19
Rot. Bonds6

About 2-[4,6-dimethyl-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidin-5-yl]-N-(2-fluorophenyl)acetamide

2-[4,6-dimethyl-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidin-5-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 124957751) has the molecular formula C25H28FN5O and a molecular weight of 433.53 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidin-5-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidin-5-yl]-N-(2-fluorophenyl)acetamide
PubChem CID124957751
Molecular FormulaC25H28FN5O
Molecular Weight433.53 g/mol
Exact Mass433.23
IUPAC Name2-[4,6-dimethyl-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidin-5-yl]-N-(2-fluorophenyl)acetamide
SMILESCc1nc([C@H]2CCCN(Cc3ccccn3)C2)nc(C)c1CC(=O)Nc1ccccc1F
InChIInChI=1S/C25H28FN5O/c1-17-21(14-24(32)30-23-11-4-3-10-22(23)26)18(2)29-25(28-17)19-8-7-13-31(15-19)16-20-9-5-6-12-27-20/h3-6,9-12,19H,7-8,13-16H2,1-2H3,(H,30,32)/t19-/m0/s1
InChIKeyGBCDQOTYWHNHAY-IBGZPJMESA-N
XLogP4.19
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4,6-dimethyl-2-[(3S)-1-(3-methylbutanoyl)piperidin-3-yl]pyrimidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 124993117
2-[2-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 125022057
N-(2-fluorophenyl)-2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
CID 110083343
2-[2-[(3R)-1-(3,3-dimethylbutanoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 125009020
N-cyclohexyl-2-[2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
CID 125021463
2-[2-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylacetamide
CID 110088408
N-cyclohexyl-2-[2-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
CID 110083373
N-(2-fluorophenyl)-3-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide
CID 96542307
2-[2-[(3S)-1-benzylpiperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-1-piperidin-1-ylethanone
CID 124980298
4-(2-fluoroanilino)-4-oxo-2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]butanoic acid
CID 53368115
2-[3-[4-[[acetyl(methyl)amino]methyl]-6-(dimethylamino)pyrimidin-2-yl]piperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 110259639
N-[(3-methoxyphenyl)methyl]-4-methyl-2-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 110248020

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidin-5-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[4,6-dimethyl-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidin-5-yl]-N-(2-fluorophenyl)acetamide (CID 124957751) is 2-[4,6-dimethyl-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidin-5-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4,6-dimethyl-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidin-5-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[4,6-dimethyl-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidin-5-yl]-N-(2-fluorophenyl)acetamide is Cc1nc([C@H]2CCCN(Cc3ccccn3)C2)nc(C)c1CC(=O)Nc1ccccc1F.
What is the InChIKey of 2-[4,6-dimethyl-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidin-5-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is GBCDQOTYWHNHAY-IBGZPJMESA-N. The full InChI is InChI=1S/C25H28FN5O/c1-17-21(14-24(32)30-23-11-4-3-10-22(23)26)18(2)29-25(28-17)19-8-7-13-31(15-19)16-20-9-5-6-12-27-20/h3-6,9-12,19H,7-8,13-16H2,1-2H3,(H,30,32)/t19-/m0/s1.
What are the key properties of 2-[4,6-dimethyl-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidin-5-yl]-N-(2-fluorophenyl)acetamide?
2-[4,6-dimethyl-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidin-5-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 433.53 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidin-5-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 124957751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).