(2S,4R)-4-fluoro-1-(2-pyridin-3-yloxyacetyl)pyrrolidine-2-carboxamide

C12H14FN3O3 — CID 120965444

IUPAC(2S,4R)-4-fluoro-1-(2-pyridin-3-yloxyacetyl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H](F)CN1C(=O)COc1cccnc1
InChIInChI=1S/C12H14FN3O3/c13-8-4-10(12(14)18)16(6-8)11(17)7-19-9-2-1-3-15-5-9/h1-3,5,8,10H,4,6-7H2,(H2,14,18)/t8-,10+/m1/s1
InChIKeySRJCNZHYAPFKFO-SCZZXKLOSA-N
MW267.26 g/mol
LogP-0.12
Rot. Bonds4

About (2S,4R)-4-fluoro-1-(2-pyridin-3-yloxyacetyl)pyrrolidine-2-carboxamide

(2S,4R)-4-fluoro-1-(2-pyridin-3-yloxyacetyl)pyrrolidine-2-carboxamide (PubChem CID 120965444) has the molecular formula C12H14FN3O3 and a molecular weight of 267.26 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-1-(2-pyridin-3-yloxyacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-1-(2-pyridin-3-yloxyacetyl)pyrrolidine-2-carboxamide
PubChem CID120965444
Molecular FormulaC12H14FN3O3
Molecular Weight267.26 g/mol
Exact Mass267.10
IUPAC Name(2S,4R)-4-fluoro-1-(2-pyridin-3-yloxyacetyl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H](F)CN1C(=O)COc1cccnc1
InChIInChI=1S/C12H14FN3O3/c13-8-4-10(12(14)18)16(6-8)11(17)7-19-9-2-1-3-15-5-9/h1-3,5,8,10H,4,6-7H2,(H2,14,18)/t8-,10+/m1/s1
InChIKeySRJCNZHYAPFKFO-SCZZXKLOSA-N
XLogP-0.12
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-4-fluoro-1-(2-phenylmethoxyacetyl)pyrrolidine-2-carboxamide
CID 120965400
(2S,4R)-1-(3,3-diphenylpropanoyl)-4-fluoropyrrolidine-2-carboxamide
CID 120965340
(2S,4R)-1-[2-(cyclopropylmethoxy)acetyl]-4-fluoropyrrolidine-2-carboxamide
CID 120965503
2-(4-fluorophenoxy)-1-[(2S,4S)-4-pyridin-3-yloxy-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 110198898
1-(2,6-dimethylmorpholin-4-yl)-2-pyridin-3-yloxyethanone
CID 110487906
(2S,4S)-N-cyclopropyl-1-(2-phenoxyacetyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110199017
1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)-2-pyridin-3-yloxyethanone
CID 90616057
(2S,4R)-1-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl]-4-fluoropyrrolidine-2-carboxamide
CID 120965460
(2S,4R)-4-fluoro-1-(2-phenylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide
CID 120965571
1-(2-pyridin-3-yloxyacetyl)pyrrolidine-3-carboxylic acid
CID 119353905
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-pyridin-3-yloxyethanone
CID 120818044
[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone
CID 128988547

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-fluoro-1-(2-pyridin-3-yloxyacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-fluoro-1-(2-pyridin-3-yloxyacetyl)pyrrolidine-2-carboxamide (CID 120965444) is (2S,4R)-4-fluoro-1-(2-pyridin-3-yloxyacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-fluoro-1-(2-pyridin-3-yloxyacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-fluoro-1-(2-pyridin-3-yloxyacetyl)pyrrolidine-2-carboxamide is NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)COc1cccnc1.
What is the InChIKey of (2S,4R)-4-fluoro-1-(2-pyridin-3-yloxyacetyl)pyrrolidine-2-carboxamide?
The InChIKey is SRJCNZHYAPFKFO-SCZZXKLOSA-N. The full InChI is InChI=1S/C12H14FN3O3/c13-8-4-10(12(14)18)16(6-8)11(17)7-19-9-2-1-3-15-5-9/h1-3,5,8,10H,4,6-7H2,(H2,14,18)/t8-,10+/m1/s1.
What are the key properties of (2S,4R)-4-fluoro-1-(2-pyridin-3-yloxyacetyl)pyrrolidine-2-carboxamide?
(2S,4R)-4-fluoro-1-(2-pyridin-3-yloxyacetyl)pyrrolidine-2-carboxamide has a molecular weight of 267.26 g/mol, XLogP of -0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-fluoro-1-(2-pyridin-3-yloxyacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 120965444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).