2-methyl-2-morpholin-4-yl-N-[1-(2-oxo-1H-pyrazin-3-yl)pyrrolidin-3-yl]propanamide

C16H25N5O3 — CID 136567117

IUPAC2-methyl-2-morpholin-4-yl-N-[1-(2-oxo-1H-pyrazin-3-yl)pyrrolidin-3-yl]propanamide
SMILESCC(C)(C(=O)NC1CCN(c2ncc[nH]c2=O)C1)N1CCOCC1
InChIInChI=1S/C16H25N5O3/c1-16(2,21-7-9-24-10-8-21)15(23)19-12-3-6-20(11-12)13-14(22)18-5-4-17-13/h4-5,12H,3,6-11H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyRMOIKNDIOZURON-UHFFFAOYSA-N
MW335.41 g/mol
LogP-0.42
Rot. Bonds4

About 2-methyl-2-morpholin-4-yl-N-[1-(2-oxo-1H-pyrazin-3-yl)pyrrolidin-3-yl]propanamide

2-methyl-2-morpholin-4-yl-N-[1-(2-oxo-1H-pyrazin-3-yl)pyrrolidin-3-yl]propanamide (PubChem CID 136567117) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-methyl-2-morpholin-4-yl-N-[1-(2-oxo-1H-pyrazin-3-yl)pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-2-morpholin-4-yl-N-[1-(2-oxo-1H-pyrazin-3-yl)pyrrolidin-3-yl]propanamide
PubChem CID136567117
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name2-methyl-2-morpholin-4-yl-N-[1-(2-oxo-1H-pyrazin-3-yl)pyrrolidin-3-yl]propanamide
SMILESCC(C)(C(=O)NC1CCN(c2ncc[nH]c2=O)C1)N1CCOCC1
InChIInChI=1S/C16H25N5O3/c1-16(2,21-7-9-24-10-8-21)15(23)19-12-3-6-20(11-12)13-14(22)18-5-4-17-13/h4-5,12H,3,6-11H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyRMOIKNDIOZURON-UHFFFAOYSA-N
XLogP-0.42
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-morpholin-4-yl-N-[1-(2-oxo-1H-pyrazin-3-yl)pyrrolidin-3-yl]propanamide?
The IUPAC name of 2-methyl-2-morpholin-4-yl-N-[1-(2-oxo-1H-pyrazin-3-yl)pyrrolidin-3-yl]propanamide (CID 136567117) is 2-methyl-2-morpholin-4-yl-N-[1-(2-oxo-1H-pyrazin-3-yl)pyrrolidin-3-yl]propanamide.
What is the SMILES notation for 2-methyl-2-morpholin-4-yl-N-[1-(2-oxo-1H-pyrazin-3-yl)pyrrolidin-3-yl]propanamide?
The canonical SMILES for 2-methyl-2-morpholin-4-yl-N-[1-(2-oxo-1H-pyrazin-3-yl)pyrrolidin-3-yl]propanamide is CC(C)(C(=O)NC1CCN(c2ncc[nH]c2=O)C1)N1CCOCC1.
What is the InChIKey of 2-methyl-2-morpholin-4-yl-N-[1-(2-oxo-1H-pyrazin-3-yl)pyrrolidin-3-yl]propanamide?
The InChIKey is RMOIKNDIOZURON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-16(2,21-7-9-24-10-8-21)15(23)19-12-3-6-20(11-12)13-14(22)18-5-4-17-13/h4-5,12H,3,6-11H2,1-2H3,(H,18,22)(H,19,23).
What are the key properties of 2-methyl-2-morpholin-4-yl-N-[1-(2-oxo-1H-pyrazin-3-yl)pyrrolidin-3-yl]propanamide?
2-methyl-2-morpholin-4-yl-N-[1-(2-oxo-1H-pyrazin-3-yl)pyrrolidin-3-yl]propanamide has a molecular weight of 335.41 g/mol, XLogP of -0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-morpholin-4-yl-N-[1-(2-oxo-1H-pyrazin-3-yl)pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 136567117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).