N-(furan-2-ylmethyl)-1-(6-methylsulfanylpyrazin-2-yl)pyrrolidine-2-carboxamide

C15H18N4O2S — CID 91662072

IUPACN-(furan-2-ylmethyl)-1-(6-methylsulfanylpyrazin-2-yl)pyrrolidine-2-carboxamide
SMILESCSc1cncc(N2CCCC2C(=O)NCc2ccco2)n1
InChIInChI=1S/C15H18N4O2S/c1-22-14-10-16-9-13(18-14)19-6-2-5-12(19)15(20)17-8-11-4-3-7-21-11/h3-4,7,9-10,12H,2,5-6,8H2,1H3,(H,17,20)
InChIKeyHPUHBROFSCYJTH-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.08
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-(6-methylsulfanylpyrazin-2-yl)pyrrolidine-2-carboxamide

N-(furan-2-ylmethyl)-1-(6-methylsulfanylpyrazin-2-yl)pyrrolidine-2-carboxamide (PubChem CID 91662072) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(6-methylsulfanylpyrazin-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(6-methylsulfanylpyrazin-2-yl)pyrrolidine-2-carboxamide
PubChem CID91662072
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-(furan-2-ylmethyl)-1-(6-methylsulfanylpyrazin-2-yl)pyrrolidine-2-carboxamide
SMILESCSc1cncc(N2CCCC2C(=O)NCc2ccco2)n1
InChIInChI=1S/C15H18N4O2S/c1-22-14-10-16-9-13(18-14)19-6-2-5-12(19)15(20)17-8-11-4-3-7-21-11/h3-4,7,9-10,12H,2,5-6,8H2,1H3,(H,17,20)
InChIKeyHPUHBROFSCYJTH-UHFFFAOYSA-N
XLogP2.08
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-(6-ethoxypyrazin-2-yl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 99636784
(2R)-N-(furan-2-ylmethyl)-1-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 99636768
N-(furan-2-ylmethyl)-1-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 86805078
N-(furan-2-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrrolidine-2-carboxamide
CID 91644166
N-(furan-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
CID 86930900
1-(3-fluoro-2-pyridinyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 86805094
(2S)-N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 99636781
(2S)-N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 32877863
(2R)-N-(furan-2-ylmethyl)-1-furo[3,2-c]pyridin-4-ylpyrrolidine-2-carboxamide
CID 99636760
(2R)-N-(furan-2-ylmethyl)-1-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)pyrrolidine-2-carboxamide
CID 136783558
(2R)-1-(4-cyano-2,6-difluorophenyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 99636817
(2R)-N-(furan-2-ylmethyl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-2-carboxamide
CID 125142082

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(6-methylsulfanylpyrazin-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-(6-methylsulfanylpyrazin-2-yl)pyrrolidine-2-carboxamide (CID 91662072) is N-(furan-2-ylmethyl)-1-(6-methylsulfanylpyrazin-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(6-methylsulfanylpyrazin-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(6-methylsulfanylpyrazin-2-yl)pyrrolidine-2-carboxamide is CSc1cncc(N2CCCC2C(=O)NCc2ccco2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(6-methylsulfanylpyrazin-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is HPUHBROFSCYJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-22-14-10-16-9-13(18-14)19-6-2-5-12(19)15(20)17-8-11-4-3-7-21-11/h3-4,7,9-10,12H,2,5-6,8H2,1H3,(H,17,20).
What are the key properties of N-(furan-2-ylmethyl)-1-(6-methylsulfanylpyrazin-2-yl)pyrrolidine-2-carboxamide?
N-(furan-2-ylmethyl)-1-(6-methylsulfanylpyrazin-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(6-methylsulfanylpyrazin-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 91662072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).