(2S,4S)-N-(2-methoxyethyl)-1-(5-methylpyrazine-2-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide

C19H23N5O4 — CID 110198831

IUPAC(2S,4S)-N-(2-methoxyethyl)-1-(5-methylpyrazine-2-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESCOCCNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)c1cnc(C)cn1
InChIInChI=1S/C19H23N5O4/c1-13-9-23-16(11-22-13)19(26)24-12-15(28-14-4-3-5-20-10-14)8-17(24)18(25)21-6-7-27-2/h3-5,9-11,15,17H,6-8,12H2,1-2H3,(H,21,25)/t15-,17-/m0/s1
InChIKeyCSBPKNXYAFTXKT-RDJZCZTQSA-N
MW385.42 g/mol
LogP0.60
Rot. Bonds7

About (2S,4S)-N-(2-methoxyethyl)-1-(5-methylpyrazine-2-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide

(2S,4S)-N-(2-methoxyethyl)-1-(5-methylpyrazine-2-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide (PubChem CID 110198831) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is (2S,4S)-N-(2-methoxyethyl)-1-(5-methylpyrazine-2-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-(2-methoxyethyl)-1-(5-methylpyrazine-2-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
PubChem CID110198831
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC Name(2S,4S)-N-(2-methoxyethyl)-1-(5-methylpyrazine-2-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESCOCCNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)c1cnc(C)cn1
InChIInChI=1S/C19H23N5O4/c1-13-9-23-16(11-22-13)19(26)24-12-15(28-14-4-3-5-20-10-14)8-17(24)18(25)21-6-7-27-2/h3-5,9-11,15,17H,6-8,12H2,1-2H3,(H,21,25)/t15-,17-/m0/s1
InChIKeyCSBPKNXYAFTXKT-RDJZCZTQSA-N
XLogP0.60
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 (2S,4S)-N-(2-methoxyethyl)-1-(5-methylpyrazine-2-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-N-(2-methoxyethyl)-1-(5-methylpyrazine-2-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide (CID 110198831) is (2S,4S)-N-(2-methoxyethyl)-1-(5-methylpyrazine-2-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-N-(2-methoxyethyl)-1-(5-methylpyrazine-2-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-N-(2-methoxyethyl)-1-(5-methylpyrazine-2-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide is COCCNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)c1cnc(C)cn1.
What is the InChIKey of (2S,4S)-N-(2-methoxyethyl)-1-(5-methylpyrazine-2-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The InChIKey is CSBPKNXYAFTXKT-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H23N5O4/c1-13-9-23-16(11-22-13)19(26)24-12-15(28-14-4-3-5-20-10-14)8-17(24)18(25)21-6-7-27-2/h3-5,9-11,15,17H,6-8,12H2,1-2H3,(H,21,25)/t15-,17-/m0/s1.
What are the key properties of (2S,4S)-N-(2-methoxyethyl)-1-(5-methylpyrazine-2-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
(2S,4S)-N-(2-methoxyethyl)-1-(5-methylpyrazine-2-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 0.60, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(2-methoxyethyl)-1-(5-methylpyrazine-2-carbonyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide is sourced from PubChem (CID 110198831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).