2-[3-[4-[[acetyl(methyl)amino]methyl]-6-(dimethylamino)pyrimidin-2-yl]piperidin-1-yl]-N-(2-fluorophenyl)acetamide

C23H31FN6O2 — CID 110259639

IUPAC2-[3-[4-[[acetyl(methyl)amino]methyl]-6-(dimethylamino)pyrimidin-2-yl]piperidin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESCC(=O)N(C)Cc1cc(N(C)C)nc(C2CCCN(CC(=O)Nc3ccccc3F)C2)n1
InChIInChI=1S/C23H31FN6O2/c1-16(31)29(4)14-18-12-21(28(2)3)27-23(25-18)17-8-7-11-30(13-17)15-22(32)26-20-10-6-5-9-19(20)24/h5-6,9-10,12,17H,7-8,11,13-15H2,1-4H3,(H,26,32)
InChIKeyFPCKNMAUPGCTBC-UHFFFAOYSA-N
MW442.54 g/mol
LogP2.48
Rot. Bonds7

About 2-[3-[4-[[acetyl(methyl)amino]methyl]-6-(dimethylamino)pyrimidin-2-yl]piperidin-1-yl]-N-(2-fluorophenyl)acetamide

2-[3-[4-[[acetyl(methyl)amino]methyl]-6-(dimethylamino)pyrimidin-2-yl]piperidin-1-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 110259639) has the molecular formula C23H31FN6O2 and a molecular weight of 442.54 g/mol. Its IUPAC name is 2-[3-[4-[[acetyl(methyl)amino]methyl]-6-(dimethylamino)pyrimidin-2-yl]piperidin-1-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-[4-[[acetyl(methyl)amino]methyl]-6-(dimethylamino)pyrimidin-2-yl]piperidin-1-yl]-N-(2-fluorophenyl)acetamide
PubChem CID110259639
Molecular FormulaC23H31FN6O2
Molecular Weight442.54 g/mol
Exact Mass442.25
IUPAC Name2-[3-[4-[[acetyl(methyl)amino]methyl]-6-(dimethylamino)pyrimidin-2-yl]piperidin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESCC(=O)N(C)Cc1cc(N(C)C)nc(C2CCCN(CC(=O)Nc3ccccc3F)C2)n1
InChIInChI=1S/C23H31FN6O2/c1-16(31)29(4)14-18-12-21(28(2)3)27-23(25-18)17-8-7-11-30(13-17)15-22(32)26-20-10-6-5-9-19(20)24/h5-6,9-10,12,17H,7-8,11,13-15H2,1-4H3,(H,26,32)
InChIKeyFPCKNMAUPGCTBC-UHFFFAOYSA-N
XLogP2.48
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-fluorophenyl)-2-[(3S)-3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]acetamide
CID 92625639
N-(2-fluorophenyl)-2-[(3R)-3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]acetamide
CID 92625638
N-(2-fluorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919928
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2-fluorophenyl)acetamide
CID 22194026
(3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305796
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 63848548
N-(2-fluorophenyl)-3-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide
CID 96542307
N-[[2-[(2S)-1-(cyclopentanecarbonyl)piperidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide
CID 92624317
2-[4,6-dimethyl-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 124957751
2-[3-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 110264753
N-tert-butyl-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 166601926
N-[[6-(dimethylamino)-2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide
CID 92624254

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[[acetyl(methyl)amino]methyl]-6-(dimethylamino)pyrimidin-2-yl]piperidin-1-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[3-[4-[[acetyl(methyl)amino]methyl]-6-(dimethylamino)pyrimidin-2-yl]piperidin-1-yl]-N-(2-fluorophenyl)acetamide (CID 110259639) is 2-[3-[4-[[acetyl(methyl)amino]methyl]-6-(dimethylamino)pyrimidin-2-yl]piperidin-1-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[3-[4-[[acetyl(methyl)amino]methyl]-6-(dimethylamino)pyrimidin-2-yl]piperidin-1-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[3-[4-[[acetyl(methyl)amino]methyl]-6-(dimethylamino)pyrimidin-2-yl]piperidin-1-yl]-N-(2-fluorophenyl)acetamide is CC(=O)N(C)Cc1cc(N(C)C)nc(C2CCCN(CC(=O)Nc3ccccc3F)C2)n1.
What is the InChIKey of 2-[3-[4-[[acetyl(methyl)amino]methyl]-6-(dimethylamino)pyrimidin-2-yl]piperidin-1-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is FPCKNMAUPGCTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN6O2/c1-16(31)29(4)14-18-12-21(28(2)3)27-23(25-18)17-8-7-11-30(13-17)15-22(32)26-20-10-6-5-9-19(20)24/h5-6,9-10,12,17H,7-8,11,13-15H2,1-4H3,(H,26,32).
What are the key properties of 2-[3-[4-[[acetyl(methyl)amino]methyl]-6-(dimethylamino)pyrimidin-2-yl]piperidin-1-yl]-N-(2-fluorophenyl)acetamide?
2-[3-[4-[[acetyl(methyl)amino]methyl]-6-(dimethylamino)pyrimidin-2-yl]piperidin-1-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 442.54 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[[acetyl(methyl)amino]methyl]-6-(dimethylamino)pyrimidin-2-yl]piperidin-1-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 110259639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).