N-[[6-[1-(4-methylthiophene-2-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide

C17H20N4O2S — CID 110094914

IUPACN-[[6-[1-(4-methylthiophene-2-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
SMILESCC(=O)NCc1cncc(C2CCCN2C(=O)c2cc(C)cs2)n1
InChIInChI=1S/C17H20N4O2S/c1-11-6-16(24-10-11)17(23)21-5-3-4-15(21)14-9-18-7-13(20-14)8-19-12(2)22/h6-7,9-10,15H,3-5,8H2,1-2H3,(H,19,22)
InChIKeyKRYAZSOPCUVOMU-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.46
Rot. Bonds4

About N-[[6-[1-(4-methylthiophene-2-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide

N-[[6-[1-(4-methylthiophene-2-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide (PubChem CID 110094914) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[[6-[1-(4-methylthiophene-2-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-[1-(4-methylthiophene-2-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
PubChem CID110094914
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-[[6-[1-(4-methylthiophene-2-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
SMILESCC(=O)NCc1cncc(C2CCCN2C(=O)c2cc(C)cs2)n1
InChIInChI=1S/C17H20N4O2S/c1-11-6-16(24-10-11)17(23)21-5-3-4-15(21)14-9-18-7-13(20-14)8-19-12(2)22/h6-7,9-10,15H,3-5,8H2,1-2H3,(H,19,22)
InChIKeyKRYAZSOPCUVOMU-UHFFFAOYSA-N
XLogP2.46
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 110268251
N-[[6-[1-(2-acetamidoacetyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 110094831
N-[[6-[(2R)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 95839584
N-[[6-[(2R)-1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 95839567
N-[[6-[1-(1,3-oxazole-5-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 110112276
N-[[6-[(2R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 125027050
N-[[6-[1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 110094829
N-[[6-[(2R)-1-(1-propylpyrazole-3-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 124954129
N-[[6-[1-(1-propylpyrazole-3-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 110094895
[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 110091139
N-[[6-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 110094921
N-[[6-[(2S)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide
CID 124998084

Frequently Asked Questions

What is the IUPAC name of N-[[6-[1-(4-methylthiophene-2-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide?
The IUPAC name of N-[[6-[1-(4-methylthiophene-2-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide (CID 110094914) is N-[[6-[1-(4-methylthiophene-2-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[6-[1-(4-methylthiophene-2-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[6-[1-(4-methylthiophene-2-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide is CC(=O)NCc1cncc(C2CCCN2C(=O)c2cc(C)cs2)n1.
What is the InChIKey of N-[[6-[1-(4-methylthiophene-2-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide?
The InChIKey is KRYAZSOPCUVOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-11-6-16(24-10-11)17(23)21-5-3-4-15(21)14-9-18-7-13(20-14)8-19-12(2)22/h6-7,9-10,15H,3-5,8H2,1-2H3,(H,19,22).
What are the key properties of N-[[6-[1-(4-methylthiophene-2-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide?
N-[[6-[1-(4-methylthiophene-2-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide has a molecular weight of 344.44 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[1-(4-methylthiophene-2-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide is sourced from PubChem (CID 110094914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).