2-(2-oxoazepan-1-yl)-N-[1-(2-oxo-1H-pyrazin-3-yl)pyrrolidin-3-yl]acetamide

C16H23N5O3 — CID 136567108

IUPAC2-(2-oxoazepan-1-yl)-N-[1-(2-oxo-1H-pyrazin-3-yl)pyrrolidin-3-yl]acetamide
SMILESO=C(CN1CCCCCC1=O)NC1CCN(c2ncc[nH]c2=O)C1
InChIInChI=1S/C16H23N5O3/c22-13(11-20-8-3-1-2-4-14(20)23)19-12-5-9-21(10-12)15-16(24)18-7-6-17-15/h6-7,12H,1-5,8-11H2,(H,18,24)(H,19,22)
InChIKeyWANOUABZWJLGLD-UHFFFAOYSA-N
MW333.39 g/mol
LogP-0.13
Rot. Bonds4

About 2-(2-oxoazepan-1-yl)-N-[1-(2-oxo-1H-pyrazin-3-yl)pyrrolidin-3-yl]acetamide

2-(2-oxoazepan-1-yl)-N-[1-(2-oxo-1H-pyrazin-3-yl)pyrrolidin-3-yl]acetamide (PubChem CID 136567108) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-(2-oxoazepan-1-yl)-N-[1-(2-oxo-1H-pyrazin-3-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-oxoazepan-1-yl)-N-[1-(2-oxo-1H-pyrazin-3-yl)pyrrolidin-3-yl]acetamide
PubChem CID136567108
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name2-(2-oxoazepan-1-yl)-N-[1-(2-oxo-1H-pyrazin-3-yl)pyrrolidin-3-yl]acetamide
SMILESO=C(CN1CCCCCC1=O)NC1CCN(c2ncc[nH]c2=O)C1
InChIInChI=1S/C16H23N5O3/c22-13(11-20-8-3-1-2-4-14(20)23)19-12-5-9-21(10-12)15-16(24)18-7-6-17-15/h6-7,12H,1-5,8-11H2,(H,18,24)(H,19,22)
InChIKeyWANOUABZWJLGLD-UHFFFAOYSA-N
XLogP-0.13
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoazepan-1-yl)-N-[1-(2-oxo-1H-pyrazin-3-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(2-oxoazepan-1-yl)-N-[1-(2-oxo-1H-pyrazin-3-yl)pyrrolidin-3-yl]acetamide (CID 136567108) is 2-(2-oxoazepan-1-yl)-N-[1-(2-oxo-1H-pyrazin-3-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(2-oxoazepan-1-yl)-N-[1-(2-oxo-1H-pyrazin-3-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(2-oxoazepan-1-yl)-N-[1-(2-oxo-1H-pyrazin-3-yl)pyrrolidin-3-yl]acetamide is O=C(CN1CCCCCC1=O)NC1CCN(c2ncc[nH]c2=O)C1.
What is the InChIKey of 2-(2-oxoazepan-1-yl)-N-[1-(2-oxo-1H-pyrazin-3-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is WANOUABZWJLGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c22-13(11-20-8-3-1-2-4-14(20)23)19-12-5-9-21(10-12)15-16(24)18-7-6-17-15/h6-7,12H,1-5,8-11H2,(H,18,24)(H,19,22).
What are the key properties of 2-(2-oxoazepan-1-yl)-N-[1-(2-oxo-1H-pyrazin-3-yl)pyrrolidin-3-yl]acetamide?
2-(2-oxoazepan-1-yl)-N-[1-(2-oxo-1H-pyrazin-3-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 333.39 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoazepan-1-yl)-N-[1-(2-oxo-1H-pyrazin-3-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 136567108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).