2-[[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-pyridin-4-ylpyrrolidin-3-yl]methoxy]acetamide

C19H23N3O4 — CID 110202616

IUPAC2-[[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-pyridin-4-ylpyrrolidin-3-yl]methoxy]acetamide
SMILESCc1cc(C(=O)N2C[C@@H](COCC(N)=O)[C@H](c3ccncc3)C2)c(C)o1
InChIInChI=1S/C19H23N3O4/c1-12-7-16(13(2)26-12)19(24)22-8-15(10-25-11-18(20)23)17(9-22)14-3-5-21-6-4-14/h3-7,15,17H,8-11H2,1-2H3,(H2,20,23)/t15-,17-/m0/s1
InChIKeyVYGJKMWWINIWIF-RDJZCZTQSA-N
MW357.41 g/mol
LogP1.65
Rot. Bonds6

About 2-[[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-pyridin-4-ylpyrrolidin-3-yl]methoxy]acetamide

2-[[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-pyridin-4-ylpyrrolidin-3-yl]methoxy]acetamide (PubChem CID 110202616) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-pyridin-4-ylpyrrolidin-3-yl]methoxy]acetamide.

Molecular Properties

Compound Name2-[[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-pyridin-4-ylpyrrolidin-3-yl]methoxy]acetamide
PubChem CID110202616
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name2-[[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-pyridin-4-ylpyrrolidin-3-yl]methoxy]acetamide
SMILESCc1cc(C(=O)N2C[C@@H](COCC(N)=O)[C@H](c3ccncc3)C2)c(C)o1
InChIInChI=1S/C19H23N3O4/c1-12-7-16(13(2)26-12)19(24)22-8-15(10-25-11-18(20)23)17(9-22)14-3-5-21-6-4-14/h3-7,15,17H,8-11H2,1-2H3,(H2,20,23)/t15-,17-/m0/s1
InChIKeyVYGJKMWWINIWIF-RDJZCZTQSA-N
XLogP1.65
TPSA98.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-pyridin-4-ylpyrrolidin-3-yl]methoxy]acetamide?
The IUPAC name of 2-[[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-pyridin-4-ylpyrrolidin-3-yl]methoxy]acetamide (CID 110202616) is 2-[[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-pyridin-4-ylpyrrolidin-3-yl]methoxy]acetamide.
What is the SMILES notation for 2-[[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-pyridin-4-ylpyrrolidin-3-yl]methoxy]acetamide?
The canonical SMILES for 2-[[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-pyridin-4-ylpyrrolidin-3-yl]methoxy]acetamide is Cc1cc(C(=O)N2C[C@@H](COCC(N)=O)[C@H](c3ccncc3)C2)c(C)o1.
What is the InChIKey of 2-[[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-pyridin-4-ylpyrrolidin-3-yl]methoxy]acetamide?
The InChIKey is VYGJKMWWINIWIF-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-12-7-16(13(2)26-12)19(24)22-8-15(10-25-11-18(20)23)17(9-22)14-3-5-21-6-4-14/h3-7,15,17H,8-11H2,1-2H3,(H2,20,23)/t15-,17-/m0/s1.
What are the key properties of 2-[[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-pyridin-4-ylpyrrolidin-3-yl]methoxy]acetamide?
2-[[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-pyridin-4-ylpyrrolidin-3-yl]methoxy]acetamide has a molecular weight of 357.41 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-pyridin-4-ylpyrrolidin-3-yl]methoxy]acetamide is sourced from PubChem (CID 110202616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).