N-[[6-[1-[2-(2-ethylimidazol-1-yl)acetyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide

C18H24N6O2 — CID 110094866

IUPACN-[[6-[1-[2-(2-ethylimidazol-1-yl)acetyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
SMILESCCc1nccn1CC(=O)N1CCCC1c1cncc(CNC(C)=O)n1
InChIInChI=1S/C18H24N6O2/c1-3-17-20-6-8-23(17)12-18(26)24-7-4-5-16(24)15-11-19-9-14(22-15)10-21-13(2)25/h6,8-9,11,16H,3-5,7,10,12H2,1-2H3,(H,21,25)
InChIKeyPNQAOWJROPISSL-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.24
Rot. Bonds6

About N-[[6-[1-[2-(2-ethylimidazol-1-yl)acetyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide

N-[[6-[1-[2-(2-ethylimidazol-1-yl)acetyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide (PubChem CID 110094866) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[[6-[1-[2-(2-ethylimidazol-1-yl)acetyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-[1-[2-(2-ethylimidazol-1-yl)acetyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
PubChem CID110094866
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC NameN-[[6-[1-[2-(2-ethylimidazol-1-yl)acetyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
SMILESCCc1nccn1CC(=O)N1CCCC1c1cncc(CNC(C)=O)n1
InChIInChI=1S/C18H24N6O2/c1-3-17-20-6-8-23(17)12-18(26)24-7-4-5-16(24)15-11-19-9-14(22-15)10-21-13(2)25/h6,8-9,11,16H,3-5,7,10,12H2,1-2H3,(H,21,25)
InChIKeyPNQAOWJROPISSL-UHFFFAOYSA-N
XLogP1.24
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[6-[1-(2-acetamidoacetyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 110094831
N-[[6-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 110268251
N-[[6-[(2R)-1-[3-(3-methylpyrazol-1-yl)propanoyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 125009193
N-[[6-[(2R)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 95839584
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-[1-(1,3-oxazole-5-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 110112276
N-[[6-[(2R)-1-(1-propylpyrazole-3-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 124954129
N-[[6-[(2S)-1-[4-(1,2,4-triazol-1-yl)butanoyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 125020334
N-[[6-[1-(1-propylpyrazole-3-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 110094895
N-[[6-[1-(4-methylthiophene-2-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 110094914
N-[[6-[(2R)-1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 95839567
N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide
CID 125024680

Frequently Asked Questions

What is the IUPAC name of N-[[6-[1-[2-(2-ethylimidazol-1-yl)acetyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide?
The IUPAC name of N-[[6-[1-[2-(2-ethylimidazol-1-yl)acetyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide (CID 110094866) is N-[[6-[1-[2-(2-ethylimidazol-1-yl)acetyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[6-[1-[2-(2-ethylimidazol-1-yl)acetyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[6-[1-[2-(2-ethylimidazol-1-yl)acetyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide is CCc1nccn1CC(=O)N1CCCC1c1cncc(CNC(C)=O)n1.
What is the InChIKey of N-[[6-[1-[2-(2-ethylimidazol-1-yl)acetyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide?
The InChIKey is PNQAOWJROPISSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-3-17-20-6-8-23(17)12-18(26)24-7-4-5-16(24)15-11-19-9-14(22-15)10-21-13(2)25/h6,8-9,11,16H,3-5,7,10,12H2,1-2H3,(H,21,25).
What are the key properties of N-[[6-[1-[2-(2-ethylimidazol-1-yl)acetyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide?
N-[[6-[1-[2-(2-ethylimidazol-1-yl)acetyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide has a molecular weight of 356.43 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[1-[2-(2-ethylimidazol-1-yl)acetyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide is sourced from PubChem (CID 110094866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).