(2S,4R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-4-hydroxypyrrolidine-2-carboxamide

C17H17F2N3O3 — CID 56741685

IUPAC(2S,4R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NCc1cccnc1Oc1ccc(F)cc1F)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C17H17F2N3O3/c18-11-3-4-15(13(19)6-11)25-17-10(2-1-5-20-17)8-22-16(24)14-7-12(23)9-21-14/h1-6,12,14,21,23H,7-9H2,(H,22,24)/t12-,14+/m1/s1
InChIKeyKREMHTQGMSBKFP-OCCSQVGLSA-N
MW349.34 g/mol
LogP1.49
Rot. Bonds5

About (2S,4R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-4-hydroxypyrrolidine-2-carboxamide

(2S,4R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 56741685) has the molecular formula C17H17F2N3O3 and a molecular weight of 349.34 g/mol. Its IUPAC name is (2S,4R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID56741685
Molecular FormulaC17H17F2N3O3
Molecular Weight349.34 g/mol
Exact Mass349.12
IUPAC Name(2S,4R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NCc1cccnc1Oc1ccc(F)cc1F)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C17H17F2N3O3/c18-11-3-4-15(13(19)6-11)25-17-10(2-1-5-20-17)8-22-16(24)14-7-12(23)9-21-14/h1-6,12,14,21,23H,7-9H2,(H,22,24)/t12-,14+/m1/s1
InChIKeyKREMHTQGMSBKFP-OCCSQVGLSA-N
XLogP1.49
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S,4R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-4-hydroxypyrrolidine-2-carboxamide with MolForge

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Related Compounds

6-{[4-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}amino)cyclohexyl]oxy}pyridine-3-carbonitrile
CID 23646143
2-[(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 2524533
(2S)-2-[(3S)-3-acetamido-3-butan-2-yl-2-oxopyrrolidin-1-yl]-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-pyridin-2-yloxypyrrolidin-2-yl]propan-2-yl]-4-phenylbutanamide
CID 11650532
(4-cyclobutyl-1,4-diazepan-1-yl)((2R,4S)-4-(pyridin-2-yloxy)pyrrolidin-2-yl)methanone
CID 46888328
trans-(1S,2S)-N-[(1R)-2-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 71201939
trans-(1S,2S)-N-[(1R)-1-(6-cyclobutyloxy-3-pyridinyl)-2-hydroxyethyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 71201953
N~1~-{[2-(3,4-difluorophenoxy)pyridin-3-yl]methyl}-L-alaninamide
CID 56759592
(2S)-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-pyridin-2-yloxypyrrolidin-2-yl]propan-2-yl]-2-[(3S)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]propanamide
CID 57394700
(2S)-2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-pyridin-2-yloxypyrrolidin-2-yl]propan-2-yl]-4-phenylbutanamide
CID 57398246
(2S)-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-pyridin-2-yloxypyrrolidin-2-yl]propan-2-yl]-2-[(3S)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-4-phenylbutanamide
CID 57401671
[3-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone;hydrochloride
CID 137634616
[3-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone;hydrochloride
CID 137656044

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-4-hydroxypyrrolidine-2-carboxamide (CID 56741685) is (2S,4R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-4-hydroxypyrrolidine-2-carboxamide is O=C(NCc1cccnc1Oc1ccc(F)cc1F)[C@@H]1C[C@@H](O)CN1.
What is the InChIKey of (2S,4R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is KREMHTQGMSBKFP-OCCSQVGLSA-N. The full InChI is InChI=1S/C17H17F2N3O3/c18-11-3-4-15(13(19)6-11)25-17-10(2-1-5-20-17)8-22-16(24)14-7-12(23)9-21-14/h1-6,12,14,21,23H,7-9H2,(H,22,24)/t12-,14+/m1/s1.
What are the key properties of (2S,4R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-4-hydroxypyrrolidine-2-carboxamide?
(2S,4R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 349.34 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 56741685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).