N-[[6-[(2S)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide

C17H20N4O2S — CID 124998084

IUPACN-[[6-[(2S)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide
SMILESCC(=O)N1CCC[C@H]1c1cncc(CNC(=O)c2ccc(C)s2)n1
InChIInChI=1S/C17H20N4O2S/c1-11-5-6-16(24-11)17(23)19-9-13-8-18-10-14(20-13)15-4-3-7-21(15)12(2)22/h5-6,8,10,15H,3-4,7,9H2,1-2H3,(H,19,23)/t15-/m0/s1
InChIKeyRFCYOBGOTWFOPY-HNNXBMFYSA-N
MW344.44 g/mol
LogP2.46
Rot. Bonds4

About N-[[6-[(2S)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide

N-[[6-[(2S)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide (PubChem CID 124998084) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[[6-[(2S)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[(2S)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide
PubChem CID124998084
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-[[6-[(2S)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide
SMILESCC(=O)N1CCC[C@H]1c1cncc(CNC(=O)c2ccc(C)s2)n1
InChIInChI=1S/C17H20N4O2S/c1-11-5-6-16(24-11)17(23)19-9-13-8-18-10-14(20-13)15-4-3-7-21(15)12(2)22/h5-6,8,10,15H,3-4,7,9H2,1-2H3,(H,19,23)/t15-/m0/s1
InChIKeyRFCYOBGOTWFOPY-HNNXBMFYSA-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

Analyze N-[[6-[(2S)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide with MolForge

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Related Compounds

N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-2-fluorobenzamide
CID 124966706
N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide
CID 125024680
N-[[6-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]methyl]-2-methoxybenzamide
CID 110094688
4-[[6-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]methylamino]-4-oxobutanoic acid
CID 175655396
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-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-2-(3-fluorophenyl)acetamide
CID 124979320
N-[[6-[(2S)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 124953124
N-[[6-[1-(4-methylthiophene-2-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 110094914
1-[(2S)-2-[6-(thiomorpholin-4-ylmethyl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 124956770
N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-imidazol-1-ylpropanamide
CID 124981869
1-[2-[6-[(3-methylphenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 110267974

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2S)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[[6-[(2S)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide (CID 124998084) is N-[[6-[(2S)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[[6-[(2S)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[[6-[(2S)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide is CC(=O)N1CCC[C@H]1c1cncc(CNC(=O)c2ccc(C)s2)n1.
What is the InChIKey of N-[[6-[(2S)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide?
The InChIKey is RFCYOBGOTWFOPY-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-11-5-6-16(24-11)17(23)19-9-13-8-18-10-14(20-13)15-4-3-7-21(15)12(2)22/h5-6,8,10,15H,3-4,7,9H2,1-2H3,(H,19,23)/t15-/m0/s1.
What are the key properties of N-[[6-[(2S)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide?
N-[[6-[(2S)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide 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-[(2S)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 124998084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).