3-(2-fluorophenyl)-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N-methylpropanamide

C19H23FN4O2 — CID 124961173

IUPAC3-(2-fluorophenyl)-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N-methylpropanamide
SMILESCN(C[C@]1(O)CCN(c2ncccn2)C1)C(=O)CCc1ccccc1F
InChIInChI=1S/C19H23FN4O2/c1-23(17(25)8-7-15-5-2-3-6-16(15)20)13-19(26)9-12-24(14-19)18-21-10-4-11-22-18/h2-6,10-11,26H,7-9,12-14H2,1H3/t19-/m1/s1
InChIKeyGZTIPMIMPQSCDQ-LJQANCHMSA-N
MW358.42 g/mol
LogP1.65
Rot. Bonds6

About 3-(2-fluorophenyl)-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N-methylpropanamide

3-(2-fluorophenyl)-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N-methylpropanamide (PubChem CID 124961173) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N-methylpropanamide
PubChem CID124961173
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name3-(2-fluorophenyl)-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N-methylpropanamide
SMILESCN(C[C@]1(O)CCN(c2ncccn2)C1)C(=O)CCc1ccccc1F
InChIInChI=1S/C19H23FN4O2/c1-23(17(25)8-7-15-5-2-3-6-16(15)20)13-19(26)9-12-24(14-19)18-21-10-4-11-22-18/h2-6,10-11,26H,7-9,12-14H2,1H3/t19-/m1/s1
InChIKeyGZTIPMIMPQSCDQ-LJQANCHMSA-N
XLogP1.65
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-3-phenoxypropanamide
CID 110123966
N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-(methylamino)acetamide
CID 110123986
N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 110123853
2-(4-fluorophenyl)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methylacetamide
CID 124987350
3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-N-methylpropanamide
CID 155989906
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N,3-dimethylpyridine-2-carboxamide
CID 124943331
1-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 124968832
2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methylacetamide
CID 110124246
N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 110123597
N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-3-(5-methylpyrazol-1-yl)propanamide
CID 110124186
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-2-methoxy-N-methylpyridine-3-carboxamide
CID 124991397
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide
CID 125010093

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N-methylpropanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N-methylpropanamide (CID 124961173) is 3-(2-fluorophenyl)-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N-methylpropanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N-methylpropanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N-methylpropanamide is CN(C[C@]1(O)CCN(c2ncccn2)C1)C(=O)CCc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N-methylpropanamide?
The InChIKey is GZTIPMIMPQSCDQ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-23(17(25)8-7-15-5-2-3-6-16(15)20)13-19(26)9-12-24(14-19)18-21-10-4-11-22-18/h2-6,10-11,26H,7-9,12-14H2,1H3/t19-/m1/s1.
What are the key properties of 3-(2-fluorophenyl)-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N-methylpropanamide?
3-(2-fluorophenyl)-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N-methylpropanamide has a molecular weight of 358.42 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N-methylpropanamide is sourced from PubChem (CID 124961173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).