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

C15H21N5O3 — CID 110094831

IUPACN-[[6-[1-(2-acetamidoacetyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
SMILESCC(=O)NCC(=O)N1CCCC1c1cncc(CNC(C)=O)n1
InChIInChI=1S/C15H21N5O3/c1-10(21)17-7-12-6-16-8-13(19-12)14-4-3-5-20(14)15(23)9-18-11(2)22/h6,8,14H,3-5,7,9H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyNQZJCSJDNIYYOP-UHFFFAOYSA-N
MW319.37 g/mol
LogP-0.09
Rot. Bonds5

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

N-[[6-[1-(2-acetamidoacetyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide (PubChem CID 110094831) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is N-[[6-[1-(2-acetamidoacetyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-[1-(2-acetamidoacetyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
PubChem CID110094831
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC NameN-[[6-[1-(2-acetamidoacetyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
SMILESCC(=O)NCC(=O)N1CCCC1c1cncc(CNC(C)=O)n1
InChIInChI=1S/C15H21N5O3/c1-10(21)17-7-12-6-16-8-13(19-12)14-4-3-5-20(14)15(23)9-18-11(2)22/h6,8,14H,3-5,7,9H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyNQZJCSJDNIYYOP-UHFFFAOYSA-N
XLogP-0.09
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
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-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 110094921
N-[[6-[1-[2-(2-ethylimidazol-1-yl)acetyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 110094866
N-[[6-[1-(1,3-oxazole-5-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 110112276
N-[[6-[(2R)-1-[3-(3-methylpyrazol-1-yl)propanoyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 125009193
N-[[6-[(2S)-1-[4-(1,2,4-triazol-1-yl)butanoyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 125020334
N-[[6-[(2R)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 95839584
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-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 125027050
4-[[6-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]methylamino]-4-oxobutanoic acid
CID 175655396
N-[[6-[(2R)-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 124959872

Frequently Asked Questions

What is the IUPAC name of N-[[6-[1-(2-acetamidoacetyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide?
The IUPAC name of N-[[6-[1-(2-acetamidoacetyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide (CID 110094831) is N-[[6-[1-(2-acetamidoacetyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[6-[1-(2-acetamidoacetyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[6-[1-(2-acetamidoacetyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide is CC(=O)NCC(=O)N1CCCC1c1cncc(CNC(C)=O)n1.
What is the InChIKey of N-[[6-[1-(2-acetamidoacetyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide?
The InChIKey is NQZJCSJDNIYYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-10(21)17-7-12-6-16-8-13(19-12)14-4-3-5-20(14)15(23)9-18-11(2)22/h6,8,14H,3-5,7,9H2,1-2H3,(H,17,21)(H,18,22).
What are the key properties of N-[[6-[1-(2-acetamidoacetyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide?
N-[[6-[1-(2-acetamidoacetyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide has a molecular weight of 319.37 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[1-(2-acetamidoacetyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide is sourced from PubChem (CID 110094831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).