N-[[6-[(2S)-1-(3-phenylpropyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide

C20H26N4O — CID 124970355

IUPACN-[[6-[(2S)-1-(3-phenylpropyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
SMILESCC(=O)NCc1cncc([C@@H]2CCCN2CCCc2ccccc2)n1
InChIInChI=1S/C20H26N4O/c1-16(25)22-14-18-13-21-15-19(23-18)20-10-6-12-24(20)11-5-9-17-7-3-2-4-8-17/h2-4,7-8,13,15,20H,5-6,9-12,14H2,1H3,(H,22,25)/t20-/m0/s1
InChIKeyJPOOLRJCKNBZJN-FQEVSTJZSA-N
MW338.45 g/mol
LogP2.88
Rot. Bonds7

About N-[[6-[(2S)-1-(3-phenylpropyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide

N-[[6-[(2S)-1-(3-phenylpropyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide (PubChem CID 124970355) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[[6-[(2S)-1-(3-phenylpropyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-[(2S)-1-(3-phenylpropyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
PubChem CID124970355
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC NameN-[[6-[(2S)-1-(3-phenylpropyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
SMILESCC(=O)NCc1cncc([C@@H]2CCCN2CCCc2ccccc2)n1
InChIInChI=1S/C20H26N4O/c1-16(25)22-14-18-13-21-15-19(23-18)20-10-6-12-24(20)11-5-9-17-7-3-2-4-8-17/h2-4,7-8,13,15,20H,5-6,9-12,14H2,1H3,(H,22,25)/t20-/m0/s1
InChIKeyJPOOLRJCKNBZJN-FQEVSTJZSA-N
XLogP2.88
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-[1-(3-phenylpropyl)pyrrolidin-2-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 110253855
N-[[6-[(2S)-1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 124983565
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-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 124959872
N-[[6-[(2R)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 125022837
N-[[6-[(2S)-1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 125019829
N-[[6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 110268351
1-[(2S)-2-[6-[[methyl(2-phenylethyl)amino]methyl]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 124940144
N-[[6-[1-(1,3-oxazole-5-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 110112276
1-[2-[6-[[methyl(2-phenylethyl)amino]methyl]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 110117305
4-[[6-(1-acetylpyrrolidin-2-yl)pyrazin-2-yl]methylamino]-4-oxobutanoic acid
CID 175655396

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2S)-1-(3-phenylpropyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide?
The IUPAC name of N-[[6-[(2S)-1-(3-phenylpropyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide (CID 124970355) is N-[[6-[(2S)-1-(3-phenylpropyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[6-[(2S)-1-(3-phenylpropyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[6-[(2S)-1-(3-phenylpropyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide is CC(=O)NCc1cncc([C@@H]2CCCN2CCCc2ccccc2)n1.
What is the InChIKey of N-[[6-[(2S)-1-(3-phenylpropyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide?
The InChIKey is JPOOLRJCKNBZJN-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H26N4O/c1-16(25)22-14-18-13-21-15-19(23-18)20-10-6-12-24(20)11-5-9-17-7-3-2-4-8-17/h2-4,7-8,13,15,20H,5-6,9-12,14H2,1H3,(H,22,25)/t20-/m0/s1.
What are the key properties of N-[[6-[(2S)-1-(3-phenylpropyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide?
N-[[6-[(2S)-1-(3-phenylpropyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide has a molecular weight of 338.45 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(2S)-1-(3-phenylpropyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide is sourced from PubChem (CID 124970355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).