2-(2-oxopyrrolidin-1-yl)-N-[(3R,4S)-4-propyl-1-pyrazin-2-ylpyrrolidin-3-yl]acetamide

C17H25N5O2 — CID 72901641

IUPAC2-(2-oxopyrrolidin-1-yl)-N-[(3R,4S)-4-propyl-1-pyrazin-2-ylpyrrolidin-3-yl]acetamide
SMILESCCC[C@H]1CN(c2cnccn2)C[C@@H]1NC(=O)CN1CCCC1=O
InChIInChI=1S/C17H25N5O2/c1-2-4-13-10-22(15-9-18-6-7-19-15)11-14(13)20-16(23)12-21-8-3-5-17(21)24/h6-7,9,13-14H,2-5,8,10-12H2,1H3,(H,20,23)/t13-,14-/m0/s1
InChIKeyVPQRUUWCCVRKCT-KBPBESRZSA-N
MW331.42 g/mol
LogP0.82
Rot. Bonds6

About 2-(2-oxopyrrolidin-1-yl)-N-[(3R,4S)-4-propyl-1-pyrazin-2-ylpyrrolidin-3-yl]acetamide

2-(2-oxopyrrolidin-1-yl)-N-[(3R,4S)-4-propyl-1-pyrazin-2-ylpyrrolidin-3-yl]acetamide (PubChem CID 72901641) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)-N-[(3R,4S)-4-propyl-1-pyrazin-2-ylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)-N-[(3R,4S)-4-propyl-1-pyrazin-2-ylpyrrolidin-3-yl]acetamide
PubChem CID72901641
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name2-(2-oxopyrrolidin-1-yl)-N-[(3R,4S)-4-propyl-1-pyrazin-2-ylpyrrolidin-3-yl]acetamide
SMILESCCC[C@H]1CN(c2cnccn2)C[C@@H]1NC(=O)CN1CCCC1=O
InChIInChI=1S/C17H25N5O2/c1-2-4-13-10-22(15-9-18-6-7-19-15)11-14(13)20-16(23)12-21-8-3-5-17(21)24/h6-7,9,13-14H,2-5,8,10-12H2,1H3,(H,20,23)/t13-,14-/m0/s1
InChIKeyVPQRUUWCCVRKCT-KBPBESRZSA-N
XLogP0.82
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N-[(3R,4S)-4-propyl-1-pyrazin-2-ylpyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N-[(3R,4S)-4-propyl-1-pyrazin-2-ylpyrrolidin-3-yl]acetamide (CID 72901641) is 2-(2-oxopyrrolidin-1-yl)-N-[(3R,4S)-4-propyl-1-pyrazin-2-ylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)-N-[(3R,4S)-4-propyl-1-pyrazin-2-ylpyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)-N-[(3R,4S)-4-propyl-1-pyrazin-2-ylpyrrolidin-3-yl]acetamide is CCC[C@H]1CN(c2cnccn2)C[C@@H]1NC(=O)CN1CCCC1=O.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)-N-[(3R,4S)-4-propyl-1-pyrazin-2-ylpyrrolidin-3-yl]acetamide?
The InChIKey is VPQRUUWCCVRKCT-KBPBESRZSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-2-4-13-10-22(15-9-18-6-7-19-15)11-14(13)20-16(23)12-21-8-3-5-17(21)24/h6-7,9,13-14H,2-5,8,10-12H2,1H3,(H,20,23)/t13-,14-/m0/s1.
What are the key properties of 2-(2-oxopyrrolidin-1-yl)-N-[(3R,4S)-4-propyl-1-pyrazin-2-ylpyrrolidin-3-yl]acetamide?
2-(2-oxopyrrolidin-1-yl)-N-[(3R,4S)-4-propyl-1-pyrazin-2-ylpyrrolidin-3-yl]acetamide has a molecular weight of 331.42 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrrolidin-1-yl)-N-[(3R,4S)-4-propyl-1-pyrazin-2-ylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 72901641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).