N-[[6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide

C15H20N6O — CID 110268351

IUPACN-[[6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
SMILESCC(=O)NCc1cncc(C2CCCN2Cc2ncc[nH]2)n1
InChIInChI=1S/C15H20N6O/c1-11(22)19-8-12-7-16-9-13(20-12)14-3-2-6-21(14)10-15-17-4-5-18-15/h4-5,7,9,14H,2-3,6,8,10H2,1H3,(H,17,18)(H,19,22)
InChIKeyTUPARSMZVANJBM-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.17
Rot. Bonds5

About N-[[6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide

N-[[6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide (PubChem CID 110268351) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is N-[[6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
PubChem CID110268351
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC NameN-[[6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
SMILESCC(=O)NCc1cncc(C2CCCN2Cc2ncc[nH]2)n1
InChIInChI=1S/C15H20N6O/c1-11(22)19-8-12-7-16-9-13(20-12)14-3-2-6-21(14)10-15-17-4-5-18-15/h4-5,7,9,14H,2-3,6,8,10H2,1H3,(H,17,18)(H,19,22)
InChIKeyTUPARSMZVANJBM-UHFFFAOYSA-N
XLogP1.17
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-[(2S)-1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 124983565
N-[[6-[(2R)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 125022837
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-(3-phenylpropyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 124970355
2-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-6-(4-methoxyphenoxy)pyrazine
CID 95844172
N-[[6-[(2R)-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 124959872
N-[[6-[(2R)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 95839584
N-[[6-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125007878
N-[[6-[(2S)-1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 125019829
N-[[6-[(2R)-1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 95839567
N-[[6-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125019695

Frequently Asked Questions

What is the IUPAC name of N-[[6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide?
The IUPAC name of N-[[6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide (CID 110268351) is N-[[6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide is CC(=O)NCc1cncc(C2CCCN2Cc2ncc[nH]2)n1.
What is the InChIKey of N-[[6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide?
The InChIKey is TUPARSMZVANJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-11(22)19-8-12-7-16-9-13(20-12)14-3-2-6-21(14)10-15-17-4-5-18-15/h4-5,7,9,14H,2-3,6,8,10H2,1H3,(H,17,18)(H,19,22).
What are the key properties of N-[[6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide?
N-[[6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide has a molecular weight of 300.37 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide is sourced from PubChem (CID 110268351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).