[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[6-(3-fluorophenyl)-3-pyridinyl]methanone

C21H26FN3O — CID 70717110

IUPAC[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[6-(3-fluorophenyl)-3-pyridinyl]methanone
SMILESCCC[C@@H]1CN(C(=O)c2ccc(-c3cccc(F)c3)nc2)C[C@H]1N(C)C
InChIInChI=1S/C21H26FN3O/c1-4-6-17-13-25(14-20(17)24(2)3)21(26)16-9-10-19(23-12-16)15-7-5-8-18(22)11-15/h5,7-12,17,20H,4,6,13-14H2,1-3H3/t17-,20-/m1/s1
InChIKeyUQNNFMHZUKHKAR-YLJYHZDGSA-N
MW355.46 g/mol
LogP3.69
Rot. Bonds5

About [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[6-(3-fluorophenyl)-3-pyridinyl]methanone

[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[6-(3-fluorophenyl)-3-pyridinyl]methanone (PubChem CID 70717110) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[6-(3-fluorophenyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[6-(3-fluorophenyl)-3-pyridinyl]methanone
PubChem CID70717110
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC Name[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[6-(3-fluorophenyl)-3-pyridinyl]methanone
SMILESCCC[C@@H]1CN(C(=O)c2ccc(-c3cccc(F)c3)nc2)C[C@H]1N(C)C
InChIInChI=1S/C21H26FN3O/c1-4-6-17-13-25(14-20(17)24(2)3)21(26)16-9-10-19(23-12-16)15-7-5-8-18(22)11-15/h5,7-12,17,20H,4,6,13-14H2,1-3H3/t17-,20-/m1/s1
InChIKeyUQNNFMHZUKHKAR-YLJYHZDGSA-N
XLogP3.69
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-difluorophenyl)-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]methanone
CID 70713270
1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;6-(3-fluorophenyl)pyridine-3-carboxamide
CID 143699791
6-(3-fluorophenyl)-N-[(1R,5S)-3-propyl-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-3-carboxamide
CID 59743759
[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-(8-fluoroquinolin-2-yl)methanone
CID 70781091
N-[5-(ethylcarbamoyl)-1-methylpyrrolidin-3-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 156605916
[(3R,4S)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 97097008
N-[(2R)-butan-2-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 95056530
2-(4-acetylphenoxy)-1-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]ethanone
CID 72922814
6-(3-fluorophenyl)-N-[[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 89457592
N-[4-(dimethylcarbamoylamino)cyclohexyl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 59401474
[(1R,5S)-8-(dimethylamino)-3-azabicyclo[3.2.1]octan-3-yl]-[4-(3-fluorophenyl)phenyl]methanone
CID 77094256
[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 70731861

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[6-(3-fluorophenyl)-3-pyridinyl]methanone?
The IUPAC name of [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[6-(3-fluorophenyl)-3-pyridinyl]methanone (CID 70717110) is [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[6-(3-fluorophenyl)-3-pyridinyl]methanone.
What is the SMILES notation for [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[6-(3-fluorophenyl)-3-pyridinyl]methanone?
The canonical SMILES for [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[6-(3-fluorophenyl)-3-pyridinyl]methanone is CCC[C@@H]1CN(C(=O)c2ccc(-c3cccc(F)c3)nc2)C[C@H]1N(C)C.
What is the InChIKey of [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[6-(3-fluorophenyl)-3-pyridinyl]methanone?
The InChIKey is UQNNFMHZUKHKAR-YLJYHZDGSA-N. The full InChI is InChI=1S/C21H26FN3O/c1-4-6-17-13-25(14-20(17)24(2)3)21(26)16-9-10-19(23-12-16)15-7-5-8-18(22)11-15/h5,7-12,17,20H,4,6,13-14H2,1-3H3/t17-,20-/m1/s1.
What are the key properties of [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[6-(3-fluorophenyl)-3-pyridinyl]methanone?
[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[6-(3-fluorophenyl)-3-pyridinyl]methanone has a molecular weight of 355.46 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[6-(3-fluorophenyl)-3-pyridinyl]methanone is sourced from PubChem (CID 70717110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).