(2S,4S)-N-cyclopropyl-1-(furan-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide

C18H19N3O4 — CID 110198976

IUPAC(2S,4S)-N-cyclopropyl-1-(furan-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)c1ccoc1
InChIInChI=1S/C18H19N3O4/c22-17(20-13-3-4-13)16-8-15(25-14-2-1-6-19-9-14)10-21(16)18(23)12-5-7-24-11-12/h1-2,5-7,9,11,13,15-16H,3-4,8,10H2,(H,20,22)/t15-,16-/m0/s1
InChIKeyCXGJNSUUPWXBMX-HOTGVXAUSA-N
MW341.37 g/mol
LogP1.62
Rot. Bonds5

About (2S,4S)-N-cyclopropyl-1-(furan-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide

(2S,4S)-N-cyclopropyl-1-(furan-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide (PubChem CID 110198976) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is (2S,4S)-N-cyclopropyl-1-(furan-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-cyclopropyl-1-(furan-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
PubChem CID110198976
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name(2S,4S)-N-cyclopropyl-1-(furan-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)c1ccoc1
InChIInChI=1S/C18H19N3O4/c22-17(20-13-3-4-13)16-8-15(25-14-2-1-6-19-9-14)10-21(16)18(23)12-5-7-24-11-12/h1-2,5-7,9,11,13,15-16H,3-4,8,10H2,(H,20,22)/t15-,16-/m0/s1
InChIKeyCXGJNSUUPWXBMX-HOTGVXAUSA-N
XLogP1.62
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-1-(4-cyanobenzoyl)-N-cyclopropyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198987
[(2S,4S)-1-(furan-3-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 110198873
(2S,4S)-N-cyclopropyl-1-(2-phenylacetyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110199033
(2S,4S)-N-cyclopropyl-1-(2-phenoxyacetyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110199017
furan-3-yl-[(1S,5S)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 129357635
(2S,4S)-N-cyclopropyl-1-(isoquinoline-1-carbonyl)-4-phenoxypyrrolidine-2-carboxamide
CID 110198564
(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-(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
[(3S,3aS,7aR)-3-pyridin-3-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(furan-3-yl)methanone
CID 98777580
(2S,4S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cyclopropyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110199053
(2S,4S)-1-(furan-2-carbonyl)-N-(2-methoxyethyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198841

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-cyclopropyl-1-(furan-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-N-cyclopropyl-1-(furan-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide (CID 110198976) is (2S,4S)-N-cyclopropyl-1-(furan-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-N-cyclopropyl-1-(furan-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-N-cyclopropyl-1-(furan-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide is O=C(NC1CC1)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)c1ccoc1.
What is the InChIKey of (2S,4S)-N-cyclopropyl-1-(furan-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The InChIKey is CXGJNSUUPWXBMX-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H19N3O4/c22-17(20-13-3-4-13)16-8-15(25-14-2-1-6-19-9-14)10-21(16)18(23)12-5-7-24-11-12/h1-2,5-7,9,11,13,15-16H,3-4,8,10H2,(H,20,22)/t15-,16-/m0/s1.
What are the key properties of (2S,4S)-N-cyclopropyl-1-(furan-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
(2S,4S)-N-cyclopropyl-1-(furan-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-cyclopropyl-1-(furan-3-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide is sourced from PubChem (CID 110198976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).