N-[(3S,4R)-1-(3,6-dimethylpyrazin-2-yl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide

C17H22N4O2 — CID 70766709

IUPACN-[(3S,4R)-1-(3,6-dimethylpyrazin-2-yl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(c2nc(C)cnc2C)C[C@H]1c1ccc(C)o1
InChIInChI=1S/C17H22N4O2/c1-10-7-18-12(3)17(19-10)21-8-14(15(9-21)20-13(4)22)16-6-5-11(2)23-16/h5-7,14-15H,8-9H2,1-4H3,(H,20,22)/t14-,15-/m1/s1
InChIKeyULEPJGGTBVDMLL-HUUCEWRRSA-N
MW314.39 g/mol
LogP2.10
Rot. Bonds3

About N-[(3S,4R)-1-(3,6-dimethylpyrazin-2-yl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide

N-[(3S,4R)-1-(3,6-dimethylpyrazin-2-yl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide (PubChem CID 70766709) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[(3S,4R)-1-(3,6-dimethylpyrazin-2-yl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-(3,6-dimethylpyrazin-2-yl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide
PubChem CID70766709
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[(3S,4R)-1-(3,6-dimethylpyrazin-2-yl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(c2nc(C)cnc2C)C[C@H]1c1ccc(C)o1
InChIInChI=1S/C17H22N4O2/c1-10-7-18-12(3)17(19-10)21-8-14(15(9-21)20-13(4)22)16-6-5-11(2)23-16/h5-7,14-15H,8-9H2,1-4H3,(H,20,22)/t14-,15-/m1/s1
InChIKeyULEPJGGTBVDMLL-HUUCEWRRSA-N
XLogP2.10
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-(3,6-dimethylpyrazin-2-yl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-1-(3,6-dimethylpyrazin-2-yl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide (CID 70766709) is N-[(3S,4R)-1-(3,6-dimethylpyrazin-2-yl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-1-(3,6-dimethylpyrazin-2-yl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-1-(3,6-dimethylpyrazin-2-yl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CN(c2nc(C)cnc2C)C[C@H]1c1ccc(C)o1.
What is the InChIKey of N-[(3S,4R)-1-(3,6-dimethylpyrazin-2-yl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is ULEPJGGTBVDMLL-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-10-7-18-12(3)17(19-10)21-8-14(15(9-21)20-13(4)22)16-6-5-11(2)23-16/h5-7,14-15H,8-9H2,1-4H3,(H,20,22)/t14-,15-/m1/s1.
What are the key properties of N-[(3S,4R)-1-(3,6-dimethylpyrazin-2-yl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide?
N-[(3S,4R)-1-(3,6-dimethylpyrazin-2-yl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 314.39 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-(3,6-dimethylpyrazin-2-yl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 70766709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).