N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylfuran-2-carboxamide

C16H20N4O3 — CID 53185697

IUPACN-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylfuran-2-carboxamide
SMILESCCOc1nccnc1N1CCC(N(C)C(=O)c2ccco2)C1
InChIInChI=1S/C16H20N4O3/c1-3-22-15-14(17-7-8-18-15)20-9-6-12(11-20)19(2)16(21)13-5-4-10-23-13/h4-5,7-8,10,12H,3,6,9,11H2,1-2H3
InChIKeyCUPJWNFHVGPGJA-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.82
Rot. Bonds5

About N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylfuran-2-carboxamide

N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylfuran-2-carboxamide (PubChem CID 53185697) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylfuran-2-carboxamide
PubChem CID53185697
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylfuran-2-carboxamide
SMILESCCOc1nccnc1N1CCC(N(C)C(=O)c2ccco2)C1
InChIInChI=1S/C16H20N4O3/c1-3-22-15-14(17-7-8-18-15)20-9-6-12(11-20)19(2)16(21)13-5-4-10-23-13/h4-5,7-8,10,12H,3,6,9,11H2,1-2H3
InChIKeyCUPJWNFHVGPGJA-UHFFFAOYSA-N
XLogP1.82
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylfuran-2-carboxamide (CID 53185697) is N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylfuran-2-carboxamide is CCOc1nccnc1N1CCC(N(C)C(=O)c2ccco2)C1.
What is the InChIKey of N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylfuran-2-carboxamide?
The InChIKey is CUPJWNFHVGPGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-3-22-15-14(17-7-8-18-15)20-9-6-12(11-20)19(2)16(21)13-5-4-10-23-13/h4-5,7-8,10,12H,3,6,9,11H2,1-2H3.
What are the key properties of N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylfuran-2-carboxamide?
N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylfuran-2-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 53185697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).