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

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

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Related Compounds

1-[(3S)-2-oxopentan-3-yl]-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-2-one
CID 59125798
[4-imino-6-[[3-oxo-4-[(2S)-1-oxo-1-[(2-oxo-3-pyrrolidin-1-ylpropyl)amino]butan-2-yl]pyrazin-2-yl]amino]hexan-3-ylidene]azanide
CID 142039138
(2S)-2,6-diamino-1-[1-[(2S)-2,6-diaminohexanoyl]-1H-imidazol-1-ium-2-yl]hexan-1-one
CID 159179463
1-Methyl-3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pyrazin-2-one
CID 62938883
3-[2-(Azepan-1-yl)ethylamino]-1-propan-2-ylpyrazin-2-one
CID 62939887
3-(Azepan-3-ylamino)-1-propylpyrazin-2-one
CID 64003511
3-(Azepan-3-ylamino)-1-propan-2-ylpyrazin-2-one
CID 64005210
3-(Azepan-3-ylamino)-1-ethylpyrazin-2-one
CID 64005435
1-Ethyl-3-[(5-oxopyrrolidin-2-yl)methylamino]pyrazin-2-one
CID 64431438
1-Methyl-3-[(5-oxopyrrolidin-2-yl)methylamino]pyrazin-2-one
CID 64432426
1-Tert-butyl-3-[(5-oxopyrrolidin-2-yl)methylamino]pyrazin-2-one
CID 64432427
1-(2-Methylpropyl)-3-[(5-oxopyrrolidin-2-yl)methylamino]pyrazin-2-one
CID 64432622

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).