N-(2-methoxyethyl)-1-(5-methylpyrazine-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide

C20H24N4O4 — CID 171142100

IUPACN-(2-methoxyethyl)-1-(5-methylpyrazine-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide
SMILESCOCCNC(=O)C1CC(Oc2ccccc2)CN1C(=O)c1cnc(C)cn1
InChIInChI=1S/C20H24N4O4/c1-14-11-23-17(12-22-14)20(26)24-13-16(28-15-6-4-3-5-7-15)10-18(24)19(25)21-8-9-27-2/h3-7,11-12,16,18H,8-10,13H2,1-2H3,(H,21,25)
InChIKeyCCZGWIAGQNJTJI-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.21
Rot. Bonds7

About N-(2-methoxyethyl)-1-(5-methylpyrazine-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide

N-(2-methoxyethyl)-1-(5-methylpyrazine-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide (PubChem CID 171142100) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(5-methylpyrazine-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(5-methylpyrazine-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide
PubChem CID171142100
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC NameN-(2-methoxyethyl)-1-(5-methylpyrazine-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide
SMILESCOCCNC(=O)C1CC(Oc2ccccc2)CN1C(=O)c1cnc(C)cn1
InChIInChI=1S/C20H24N4O4/c1-14-11-23-17(12-22-14)20(26)24-13-16(28-15-6-4-3-5-7-15)10-18(24)19(25)21-8-9-27-2/h3-7,11-12,16,18H,8-10,13H2,1-2H3,(H,21,25)
InChIKeyCCZGWIAGQNJTJI-UHFFFAOYSA-N
XLogP1.21
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-(5-methylpyrazine-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-(5-methylpyrazine-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide (CID 171142100) is N-(2-methoxyethyl)-1-(5-methylpyrazine-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-(5-methylpyrazine-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-(5-methylpyrazine-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide is COCCNC(=O)C1CC(Oc2ccccc2)CN1C(=O)c1cnc(C)cn1.
What is the InChIKey of N-(2-methoxyethyl)-1-(5-methylpyrazine-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide?
The InChIKey is CCZGWIAGQNJTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-14-11-23-17(12-22-14)20(26)24-13-16(28-15-6-4-3-5-7-15)10-18(24)19(25)21-8-9-27-2/h3-7,11-12,16,18H,8-10,13H2,1-2H3,(H,21,25).
What are the key properties of N-(2-methoxyethyl)-1-(5-methylpyrazine-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide?
N-(2-methoxyethyl)-1-(5-methylpyrazine-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(5-methylpyrazine-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 171142100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).