N-[[6-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]methyl]-2-methoxybenzamide

C19H22N4O3 — CID 110094688

IUPACN-[[6-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1cncc(C2CCCN2C(C)=O)n1
InChIInChI=1S/C19H22N4O3/c1-13(24)23-9-5-7-17(23)16-12-20-10-14(22-16)11-21-19(25)15-6-3-4-8-18(15)26-2/h3-4,6,8,10,12,17H,5,7,9,11H2,1-2H3,(H,21,25)
InChIKeyLWKKFQTZMSBRHZ-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.10
Rot. Bonds5

About N-[[6-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]methyl]-2-methoxybenzamide

N-[[6-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]methyl]-2-methoxybenzamide (PubChem CID 110094688) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[[6-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[6-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]methyl]-2-methoxybenzamide
PubChem CID110094688
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-[[6-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1cncc(C2CCCN2C(C)=O)n1
InChIInChI=1S/C19H22N4O3/c1-13(24)23-9-5-7-17(23)16-12-20-10-14(22-16)11-21-19(25)15-6-3-4-8-18(15)26-2/h3-4,6,8,10,12,17H,5,7,9,11H2,1-2H3,(H,21,25)
InChIKeyLWKKFQTZMSBRHZ-UHFFFAOYSA-N
XLogP2.10
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-2-fluorobenzamide
CID 124966706
N-[[6-[(2S)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide
CID 124998084
4-[[6-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]methylamino]-4-oxobutanoic acid
CID 175655396
N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-2-(3-fluorophenyl)acetamide
CID 124979320
N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide
CID 125024680
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-[(2S)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 124953124
2-methoxy-N-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]benzamide
CID 42932893
1-[(2S)-2-[6-(thiomorpholin-4-ylmethyl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 124956770
1-[2-[6-[[methyl(2-phenylethyl)amino]methyl]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 110117305
1-[(2S)-2-[6-[[methyl(2-phenylethyl)amino]methyl]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 124940144

Frequently Asked Questions

What is the IUPAC name of N-[[6-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]methyl]-2-methoxybenzamide?
The IUPAC name of N-[[6-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]methyl]-2-methoxybenzamide (CID 110094688) is N-[[6-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[[6-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]methyl]-2-methoxybenzamide?
The canonical SMILES for N-[[6-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]methyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCc1cncc(C2CCCN2C(C)=O)n1.
What is the InChIKey of N-[[6-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]methyl]-2-methoxybenzamide?
The InChIKey is LWKKFQTZMSBRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-13(24)23-9-5-7-17(23)16-12-20-10-14(22-16)11-21-19(25)15-6-3-4-8-18(15)26-2/h3-4,6,8,10,12,17H,5,7,9,11H2,1-2H3,(H,21,25).
What are the key properties of N-[[6-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]methyl]-2-methoxybenzamide?
N-[[6-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]methyl]-2-methoxybenzamide has a molecular weight of 354.41 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 110094688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).