(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxy-N-(2-methoxy-3-pyridinyl)pyrrolidine-1-carboxamide

C17H17F2N3O3 — CID 124880269

IUPAC(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxy-N-(2-methoxy-3-pyridinyl)pyrrolidine-1-carboxamide
SMILESCOc1ncccc1NC(=O)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C17H17F2N3O3/c1-25-16-14(3-2-6-20-16)21-17(24)22-9-11(23)8-15(22)10-4-5-12(18)13(19)7-10/h2-7,11,15,23H,8-9H2,1H3,(H,21,24)/t11-,15+/m0/s1
InChIKeyHPNNDXOFAZIYCY-XHDPSFHLSA-N
MW349.34 g/mol
LogP2.71
Rot. Bonds3

About (2R,4S)-2-(3,4-difluorophenyl)-4-hydroxy-N-(2-methoxy-3-pyridinyl)pyrrolidine-1-carboxamide

(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxy-N-(2-methoxy-3-pyridinyl)pyrrolidine-1-carboxamide (PubChem CID 124880269) has the molecular formula C17H17F2N3O3 and a molecular weight of 349.34 g/mol. Its IUPAC name is (2R,4S)-2-(3,4-difluorophenyl)-4-hydroxy-N-(2-methoxy-3-pyridinyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxy-N-(2-methoxy-3-pyridinyl)pyrrolidine-1-carboxamide
PubChem CID124880269
Molecular FormulaC17H17F2N3O3
Molecular Weight349.34 g/mol
Exact Mass349.12
IUPAC Name(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxy-N-(2-methoxy-3-pyridinyl)pyrrolidine-1-carboxamide
SMILESCOc1ncccc1NC(=O)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C17H17F2N3O3/c1-25-16-14(3-2-6-20-16)21-17(24)22-9-11(23)8-15(22)10-4-5-12(18)13(19)7-10/h2-7,11,15,23H,8-9H2,1H3,(H,21,24)/t11-,15+/m0/s1
InChIKeyHPNNDXOFAZIYCY-XHDPSFHLSA-N
XLogP2.71
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 129352333
1-[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-(6-methoxy-2-pyridinyl)ethanone
CID 129352436
[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-imidazo[1,2-a]pyrazin-8-ylmethanone
CID 129351327
[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-[4-(dimethylamino)-2-pyridinyl]methanone
CID 129346643
1-[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-hydroxy-3-methylbutan-1-one
CID 129348408
1-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-hydroxy-3-methylbutan-1-one
CID 129348407
[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 129346697
(2S,4R)-4-hydroxy-1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 55259968
N-(2-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
CID 47042573
[2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(furan-2-yl)methanone
CID 128985677
(3S,5R)-5-(4-fluorophenyl)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-ol
CID 100698925
1-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-3-(2-methoxy-3-pyridinyl)urea
CID 96999764

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-(3,4-difluorophenyl)-4-hydroxy-N-(2-methoxy-3-pyridinyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R,4S)-2-(3,4-difluorophenyl)-4-hydroxy-N-(2-methoxy-3-pyridinyl)pyrrolidine-1-carboxamide (CID 124880269) is (2R,4S)-2-(3,4-difluorophenyl)-4-hydroxy-N-(2-methoxy-3-pyridinyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R,4S)-2-(3,4-difluorophenyl)-4-hydroxy-N-(2-methoxy-3-pyridinyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R,4S)-2-(3,4-difluorophenyl)-4-hydroxy-N-(2-methoxy-3-pyridinyl)pyrrolidine-1-carboxamide is COc1ncccc1NC(=O)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1.
What is the InChIKey of (2R,4S)-2-(3,4-difluorophenyl)-4-hydroxy-N-(2-methoxy-3-pyridinyl)pyrrolidine-1-carboxamide?
The InChIKey is HPNNDXOFAZIYCY-XHDPSFHLSA-N. The full InChI is InChI=1S/C17H17F2N3O3/c1-25-16-14(3-2-6-20-16)21-17(24)22-9-11(23)8-15(22)10-4-5-12(18)13(19)7-10/h2-7,11,15,23H,8-9H2,1H3,(H,21,24)/t11-,15+/m0/s1.
What are the key properties of (2R,4S)-2-(3,4-difluorophenyl)-4-hydroxy-N-(2-methoxy-3-pyridinyl)pyrrolidine-1-carboxamide?
(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxy-N-(2-methoxy-3-pyridinyl)pyrrolidine-1-carboxamide has a molecular weight of 349.34 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-(3,4-difluorophenyl)-4-hydroxy-N-(2-methoxy-3-pyridinyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 124880269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).