5-[1-(furan-3-ylmethyl)pyrrolidin-2-yl]-N-(2-pyrazin-2-ylethyl)thiophene-2-carboxamide

C20H22N4O2S — CID 45206718

IUPAC5-[1-(furan-3-ylmethyl)pyrrolidin-2-yl]-N-(2-pyrazin-2-ylethyl)thiophene-2-carboxamide
SMILESO=C(NCCc1cnccn1)c1ccc(C2CCCN2Cc2ccoc2)s1
InChIInChI=1S/C20H22N4O2S/c25-20(23-7-5-16-12-21-8-9-22-16)19-4-3-18(27-19)17-2-1-10-24(17)13-15-6-11-26-14-15/h3-4,6,8-9,11-12,14,17H,1-2,5,7,10,13H2,(H,23,25)
InChIKeyYMCHPGKSIVUCPF-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.44
Rot. Bonds7

About 5-[1-(furan-3-ylmethyl)pyrrolidin-2-yl]-N-(2-pyrazin-2-ylethyl)thiophene-2-carboxamide

5-[1-(furan-3-ylmethyl)pyrrolidin-2-yl]-N-(2-pyrazin-2-ylethyl)thiophene-2-carboxamide (PubChem CID 45206718) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 5-[1-(furan-3-ylmethyl)pyrrolidin-2-yl]-N-(2-pyrazin-2-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-(furan-3-ylmethyl)pyrrolidin-2-yl]-N-(2-pyrazin-2-ylethyl)thiophene-2-carboxamide
PubChem CID45206718
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name5-[1-(furan-3-ylmethyl)pyrrolidin-2-yl]-N-(2-pyrazin-2-ylethyl)thiophene-2-carboxamide
SMILESO=C(NCCc1cnccn1)c1ccc(C2CCCN2Cc2ccoc2)s1
InChIInChI=1S/C20H22N4O2S/c25-20(23-7-5-16-12-21-8-9-22-16)19-4-3-18(27-19)17-2-1-10-24(17)13-15-6-11-26-14-15/h3-4,6,8-9,11-12,14,17H,1-2,5,7,10,13H2,(H,23,25)
InChIKeyYMCHPGKSIVUCPF-UHFFFAOYSA-N
XLogP3.44
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(furan-3-ylmethyl)pyrrolidin-2-yl]-N-(2-pyrazin-2-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 5-[1-(furan-3-ylmethyl)pyrrolidin-2-yl]-N-(2-pyrazin-2-ylethyl)thiophene-2-carboxamide (CID 45206718) is 5-[1-(furan-3-ylmethyl)pyrrolidin-2-yl]-N-(2-pyrazin-2-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[1-(furan-3-ylmethyl)pyrrolidin-2-yl]-N-(2-pyrazin-2-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-[1-(furan-3-ylmethyl)pyrrolidin-2-yl]-N-(2-pyrazin-2-ylethyl)thiophene-2-carboxamide is O=C(NCCc1cnccn1)c1ccc(C2CCCN2Cc2ccoc2)s1.
What is the InChIKey of 5-[1-(furan-3-ylmethyl)pyrrolidin-2-yl]-N-(2-pyrazin-2-ylethyl)thiophene-2-carboxamide?
The InChIKey is YMCHPGKSIVUCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c25-20(23-7-5-16-12-21-8-9-22-16)19-4-3-18(27-19)17-2-1-10-24(17)13-15-6-11-26-14-15/h3-4,6,8-9,11-12,14,17H,1-2,5,7,10,13H2,(H,23,25).
What are the key properties of 5-[1-(furan-3-ylmethyl)pyrrolidin-2-yl]-N-(2-pyrazin-2-ylethyl)thiophene-2-carboxamide?
5-[1-(furan-3-ylmethyl)pyrrolidin-2-yl]-N-(2-pyrazin-2-ylethyl)thiophene-2-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(furan-3-ylmethyl)pyrrolidin-2-yl]-N-(2-pyrazin-2-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 45206718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).