N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-imidazol-1-ylpropanamide

C17H22N6O2 — CID 124981869

IUPACN-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-imidazol-1-ylpropanamide
SMILESCC(=O)N1CCC[C@@H]1c1cncc(CNC(=O)CCn2ccnc2)n1
InChIInChI=1S/C17H22N6O2/c1-13(24)23-6-2-3-16(23)15-11-19-9-14(21-15)10-20-17(25)4-7-22-8-5-18-12-22/h5,8-9,11-12,16H,2-4,6-7,10H2,1H3,(H,20,25)/t16-/m1/s1
InChIKeyMTDXBEZXYYXJCU-MRXNPFEDSA-N
MW342.40 g/mol
LogP1.06
Rot. Bonds6

About N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-imidazol-1-ylpropanamide

N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-imidazol-1-ylpropanamide (PubChem CID 124981869) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-imidazol-1-ylpropanamide
PubChem CID124981869
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC NameN-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-imidazol-1-ylpropanamide
SMILESCC(=O)N1CCC[C@@H]1c1cncc(CNC(=O)CCn2ccnc2)n1
InChIInChI=1S/C17H22N6O2/c1-13(24)23-6-2-3-16(23)15-11-19-9-14(21-15)10-20-17(25)4-7-22-8-5-18-12-22/h5,8-9,11-12,16H,2-4,6-7,10H2,1H3,(H,20,25)/t16-/m1/s1
InChIKeyMTDXBEZXYYXJCU-MRXNPFEDSA-N
XLogP1.06
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-imidazol-1-ylpropanamide with MolForge

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Related Compounds

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
1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]ethanone
CID 95838452
N-[[6-[(2S)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide
CID 124998084
N-[[6-[(2R)-1-[3-(3-methylpyrazol-1-yl)propanoyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 125009193
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
1-[(2S)-2-[6-(thiomorpholin-4-ylmethyl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 124956770
N-[[6-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]methyl]-2-methoxybenzamide
CID 110094688
N-[[6-[(2S)-1-[4-(1,2,4-triazol-1-yl)butanoyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 125020334

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-imidazol-1-ylpropanamide?
The IUPAC name of N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-imidazol-1-ylpropanamide (CID 124981869) is N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-imidazol-1-ylpropanamide.
What is the SMILES notation for N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-imidazol-1-ylpropanamide?
The canonical SMILES for N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-imidazol-1-ylpropanamide is CC(=O)N1CCC[C@@H]1c1cncc(CNC(=O)CCn2ccnc2)n1.
What is the InChIKey of N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-imidazol-1-ylpropanamide?
The InChIKey is MTDXBEZXYYXJCU-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-13(24)23-6-2-3-16(23)15-11-19-9-14(21-15)10-20-17(25)4-7-22-8-5-18-12-22/h5,8-9,11-12,16H,2-4,6-7,10H2,1H3,(H,20,25)/t16-/m1/s1.
What are the key properties of N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-imidazol-1-ylpropanamide?
N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-imidazol-1-ylpropanamide has a molecular weight of 342.40 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(2R)-1-acetylpyrrolidin-2-yl]pyrazin-2-yl]methyl]-3-imidazol-1-ylpropanamide is sourced from PubChem (CID 124981869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).