N-[1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]-2-phenoxyacetamide

C23H23N7O2 — CID 66744263

IUPACN-[1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]-2-phenoxyacetamide
SMILESNc1ncc(N2CCC(NC(=O)COc3ccccc3)C2)nc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C23H23N7O2/c24-22-21(23-27-17-8-4-5-9-18(17)28-23)29-19(12-25-22)30-11-10-15(13-30)26-20(31)14-32-16-6-2-1-3-7-16/h1-9,12,15H,10-11,13-14H2,(H2,24,25)(H,26,31)(H,27,28)
InChIKeyIWVWVRJVXHIHLJ-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.38
Rot. Bonds6

About N-[1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]-2-phenoxyacetamide

N-[1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]-2-phenoxyacetamide (PubChem CID 66744263) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-[1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]-2-phenoxyacetamide
PubChem CID66744263
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC NameN-[1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]-2-phenoxyacetamide
SMILESNc1ncc(N2CCC(NC(=O)COc3ccccc3)C2)nc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C23H23N7O2/c24-22-21(23-27-17-8-4-5-9-18(17)28-23)29-19(12-25-22)30-11-10-15(13-30)26-20(31)14-32-16-6-2-1-3-7-16/h1-9,12,15H,10-11,13-14H2,(H2,24,25)(H,26,31)(H,27,28)
InChIKeyIWVWVRJVXHIHLJ-UHFFFAOYSA-N
XLogP2.38
TPSA122.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]-2-phenoxyacetamide?
The IUPAC name of N-[1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]-2-phenoxyacetamide (CID 66744263) is N-[1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]-2-phenoxyacetamide is Nc1ncc(N2CCC(NC(=O)COc3ccccc3)C2)nc1-c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]-2-phenoxyacetamide?
The InChIKey is IWVWVRJVXHIHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c24-22-21(23-27-17-8-4-5-9-18(17)28-23)29-19(12-25-22)30-11-10-15(13-30)26-20(31)14-32-16-6-2-1-3-7-16/h1-9,12,15H,10-11,13-14H2,(H2,24,25)(H,26,31)(H,27,28).
What are the key properties of N-[1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]-2-phenoxyacetamide?
N-[1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]-2-phenoxyacetamide has a molecular weight of 429.48 g/mol, XLogP of 2.38, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]-2-phenoxyacetamide is sourced from PubChem (CID 66744263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).