2-(4-fluorophenyl)-2-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]acetamide

C19H23FN4O — CID 128993715

IUPAC2-(4-fluorophenyl)-2-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]acetamide
SMILESCN1CC[C@@H](CNC(C(N)=O)c2ccc(F)cc2)[C@@H]1c1cccnc1
InChIInChI=1S/C19H23FN4O/c1-24-10-8-15(18(24)14-3-2-9-22-11-14)12-23-17(19(21)25)13-4-6-16(20)7-5-13/h2-7,9,11,15,17-18,23H,8,10,12H2,1H3,(H2,21,25)/t15-,17?,18-/m0/s1
InChIKeyGHGSROYAEDDVEH-YKOWGRMDSA-N
MW342.42 g/mol
LogP2.03
Rot. Bonds6

About 2-(4-fluorophenyl)-2-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]acetamide

2-(4-fluorophenyl)-2-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]acetamide (PubChem CID 128993715) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]acetamide
PubChem CID128993715
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name2-(4-fluorophenyl)-2-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]acetamide
SMILESCN1CC[C@@H](CNC(C(N)=O)c2ccc(F)cc2)[C@@H]1c1cccnc1
InChIInChI=1S/C19H23FN4O/c1-24-10-8-15(18(24)14-3-2-9-22-11-14)12-23-17(19(21)25)13-4-6-16(20)7-5-13/h2-7,9,11,15,17-18,23H,8,10,12H2,1H3,(H2,21,25)/t15-,17?,18-/m0/s1
InChIKeyGHGSROYAEDDVEH-YKOWGRMDSA-N
XLogP2.03
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluorophenyl)-2-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]acetamide with MolForge

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Related Compounds

2-[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]-2-phenylacetamide
CID 128967466
1-(3-fluoro-4-pyridinyl)-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea
CID 128992914
[(2S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanol
CID 13292843
1-cyclohexyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]methanamine
CID 128997853
1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]-N-(methylsulfamoyl)methanamine
CID 167757288
(2S)-6-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]hept-5-en-2-amine
CID 129330781
N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide
CID 128992536
N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]furan-3-carboxamide
CID 129006338
1-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-[(2R)-2-methylsulfanylpropyl]urea
CID 129335009
2-(cyclopropylmethoxy)-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]propanamide
CID 128970530
N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 129006335
[5-[[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]methyl]furan-2-yl]methanol
CID 129004287

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-2-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]acetamide (CID 128993715) is 2-(4-fluorophenyl)-2-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-2-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-2-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]acetamide is CN1CC[C@@H](CNC(C(N)=O)c2ccc(F)cc2)[C@@H]1c1cccnc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]acetamide?
The InChIKey is GHGSROYAEDDVEH-YKOWGRMDSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-24-10-8-15(18(24)14-3-2-9-22-11-14)12-23-17(19(21)25)13-4-6-16(20)7-5-13/h2-7,9,11,15,17-18,23H,8,10,12H2,1H3,(H2,21,25)/t15-,17?,18-/m0/s1.
What are the key properties of 2-(4-fluorophenyl)-2-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]acetamide?
2-(4-fluorophenyl)-2-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]acetamide has a molecular weight of 342.42 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]acetamide is sourced from PubChem (CID 128993715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).