3-fluoro-N-[(3R,4R)-4-hydroxy-1-(5-pyridin-4-ylfuran-2-carbonyl)pyrrolidin-3-yl]oxolane-3-carboxamide

C19H20FN3O5 — CID 167910294

IUPAC3-fluoro-N-[(3R,4R)-4-hydroxy-1-(5-pyridin-4-ylfuran-2-carbonyl)pyrrolidin-3-yl]oxolane-3-carboxamide
SMILESO=C(c1ccc(-c2ccncc2)o1)N1C[C@@H](O)[C@H](NC(=O)C2(F)CCOC2)C1
InChIInChI=1S/C19H20FN3O5/c20-19(5-8-27-11-19)18(26)22-13-9-23(10-14(13)24)17(25)16-2-1-15(28-16)12-3-6-21-7-4-12/h1-4,6-7,13-14,24H,5,8-11H2,(H,22,26)/t13-,14-,19?/m1/s1
InChIKeyDJBNUGFSQZCLML-GQMHJNIWSA-N
MW389.38 g/mol
LogP0.77
Rot. Bonds4

About 3-fluoro-N-[(3R,4R)-4-hydroxy-1-(5-pyridin-4-ylfuran-2-carbonyl)pyrrolidin-3-yl]oxolane-3-carboxamide

3-fluoro-N-[(3R,4R)-4-hydroxy-1-(5-pyridin-4-ylfuran-2-carbonyl)pyrrolidin-3-yl]oxolane-3-carboxamide (PubChem CID 167910294) has the molecular formula C19H20FN3O5 and a molecular weight of 389.38 g/mol. Its IUPAC name is 3-fluoro-N-[(3R,4R)-4-hydroxy-1-(5-pyridin-4-ylfuran-2-carbonyl)pyrrolidin-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[(3R,4R)-4-hydroxy-1-(5-pyridin-4-ylfuran-2-carbonyl)pyrrolidin-3-yl]oxolane-3-carboxamide
PubChem CID167910294
Molecular FormulaC19H20FN3O5
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC Name3-fluoro-N-[(3R,4R)-4-hydroxy-1-(5-pyridin-4-ylfuran-2-carbonyl)pyrrolidin-3-yl]oxolane-3-carboxamide
SMILESO=C(c1ccc(-c2ccncc2)o1)N1C[C@@H](O)[C@H](NC(=O)C2(F)CCOC2)C1
InChIInChI=1S/C19H20FN3O5/c20-19(5-8-27-11-19)18(26)22-13-9-23(10-14(13)24)17(25)16-2-1-15(28-16)12-3-6-21-7-4-12/h1-4,6-7,13-14,24H,5,8-11H2,(H,22,26)/t13-,14-,19?/m1/s1
InChIKeyDJBNUGFSQZCLML-GQMHJNIWSA-N
XLogP0.77
TPSA104.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(3R,4R)-4-hydroxy-1-(5-pyridin-4-ylfuran-2-carbonyl)pyrrolidin-3-yl]oxolane-3-carboxamide?
The IUPAC name of 3-fluoro-N-[(3R,4R)-4-hydroxy-1-(5-pyridin-4-ylfuran-2-carbonyl)pyrrolidin-3-yl]oxolane-3-carboxamide (CID 167910294) is 3-fluoro-N-[(3R,4R)-4-hydroxy-1-(5-pyridin-4-ylfuran-2-carbonyl)pyrrolidin-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for 3-fluoro-N-[(3R,4R)-4-hydroxy-1-(5-pyridin-4-ylfuran-2-carbonyl)pyrrolidin-3-yl]oxolane-3-carboxamide?
The canonical SMILES for 3-fluoro-N-[(3R,4R)-4-hydroxy-1-(5-pyridin-4-ylfuran-2-carbonyl)pyrrolidin-3-yl]oxolane-3-carboxamide is O=C(c1ccc(-c2ccncc2)o1)N1C[C@@H](O)[C@H](NC(=O)C2(F)CCOC2)C1.
What is the InChIKey of 3-fluoro-N-[(3R,4R)-4-hydroxy-1-(5-pyridin-4-ylfuran-2-carbonyl)pyrrolidin-3-yl]oxolane-3-carboxamide?
The InChIKey is DJBNUGFSQZCLML-GQMHJNIWSA-N. The full InChI is InChI=1S/C19H20FN3O5/c20-19(5-8-27-11-19)18(26)22-13-9-23(10-14(13)24)17(25)16-2-1-15(28-16)12-3-6-21-7-4-12/h1-4,6-7,13-14,24H,5,8-11H2,(H,22,26)/t13-,14-,19?/m1/s1.
What are the key properties of 3-fluoro-N-[(3R,4R)-4-hydroxy-1-(5-pyridin-4-ylfuran-2-carbonyl)pyrrolidin-3-yl]oxolane-3-carboxamide?
3-fluoro-N-[(3R,4R)-4-hydroxy-1-(5-pyridin-4-ylfuran-2-carbonyl)pyrrolidin-3-yl]oxolane-3-carboxamide has a molecular weight of 389.38 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(3R,4R)-4-hydroxy-1-(5-pyridin-4-ylfuran-2-carbonyl)pyrrolidin-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 167910294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).