(2S,4S)-1-[2-(3-fluorophenyl)acetyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide

C19H20FN3O3 — CID 110198723

IUPAC(2S,4S)-1-[2-(3-fluorophenyl)acetyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)Cc1cccc(F)c1
InChIInChI=1S/C19H20FN3O3/c1-21-19(25)17-10-16(26-15-6-3-7-22-11-15)12-23(17)18(24)9-13-4-2-5-14(20)8-13/h2-8,11,16-17H,9-10,12H2,1H3,(H,21,25)/t16-,17-/m0/s1
InChIKeyXIFDVVNXPNGCLE-IRXDYDNUSA-N
MW357.38 g/mol
LogP1.56
Rot. Bonds5

About (2S,4S)-1-[2-(3-fluorophenyl)acetyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide

(2S,4S)-1-[2-(3-fluorophenyl)acetyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide (PubChem CID 110198723) has the molecular formula C19H20FN3O3 and a molecular weight of 357.38 g/mol. Its IUPAC name is (2S,4S)-1-[2-(3-fluorophenyl)acetyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-[2-(3-fluorophenyl)acetyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
PubChem CID110198723
Molecular FormulaC19H20FN3O3
Molecular Weight357.38 g/mol
Exact Mass357.15
IUPAC Name(2S,4S)-1-[2-(3-fluorophenyl)acetyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)Cc1cccc(F)c1
InChIInChI=1S/C19H20FN3O3/c1-21-19(25)17-10-16(26-15-6-3-7-22-11-15)12-23(17)18(24)9-13-4-2-5-14(20)8-13/h2-8,11,16-17H,9-10,12H2,1H3,(H,21,25)/t16-,17-/m0/s1
InChIKeyXIFDVVNXPNGCLE-IRXDYDNUSA-N
XLogP1.56
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N-methyl-1-(3-phenylpropanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198752
(2S,4S)-N-cyclopropyl-1-(2-phenylacetyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110199033
(2S,4S)-1-(cyclopentanecarbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198738
(2S,4S)-1-(cyclobutanecarbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198721
(2R,4S)-2-N-methyl-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide
CID 110197036
(2S,4S)-1-[3-(1H-indol-3-yl)propanoyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198730
(2S,4S)-1-[4-(1H-indol-3-yl)butanoyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198726
(2S,4S)-N-cyclopropyl-1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110199024
(2S,4S)-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carbonyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198771
(2S,4S)-N-methyl-1-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198722
(2S,4S)-1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198769
(2S,4S)-N-cyclopropyl-1-(2-phenoxyacetyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110199017

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-[2-(3-fluorophenyl)acetyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-1-[2-(3-fluorophenyl)acetyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide (CID 110198723) is (2S,4S)-1-[2-(3-fluorophenyl)acetyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-[2-(3-fluorophenyl)acetyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-[2-(3-fluorophenyl)acetyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)Cc1cccc(F)c1.
What is the InChIKey of (2S,4S)-1-[2-(3-fluorophenyl)acetyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The InChIKey is XIFDVVNXPNGCLE-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-21-19(25)17-10-16(26-15-6-3-7-22-11-15)12-23(17)18(24)9-13-4-2-5-14(20)8-13/h2-8,11,16-17H,9-10,12H2,1H3,(H,21,25)/t16-,17-/m0/s1.
What are the key properties of (2S,4S)-1-[2-(3-fluorophenyl)acetyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
(2S,4S)-1-[2-(3-fluorophenyl)acetyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide has a molecular weight of 357.38 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-[2-(3-fluorophenyl)acetyl]-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide is sourced from PubChem (CID 110198723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).