(2-ethoxy-3-pyridinyl)-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone

C16H18N4O2 — CID 125022626

IUPAC(2-ethoxy-3-pyridinyl)-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone
SMILESCCOc1ncccc1C(=O)N1CCC[C@@H]1c1cnccn1
InChIInChI=1S/C16H18N4O2/c1-2-22-15-12(5-3-7-19-15)16(21)20-10-4-6-14(20)13-11-17-8-9-18-13/h3,5,7-9,11,14H,2,4,6,10H2,1H3/t14-/m1/s1
InChIKeyYRWLASMXQMINPN-CQSZACIVSA-N
MW298.35 g/mol
LogP2.25
Rot. Bonds4

About (2-ethoxy-3-pyridinyl)-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone

(2-ethoxy-3-pyridinyl)-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone (PubChem CID 125022626) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is (2-ethoxy-3-pyridinyl)-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethoxy-3-pyridinyl)-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone
PubChem CID125022626
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name(2-ethoxy-3-pyridinyl)-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone
SMILESCCOc1ncccc1C(=O)N1CCC[C@@H]1c1cnccn1
InChIInChI=1S/C16H18N4O2/c1-2-22-15-12(5-3-7-19-15)16(21)20-10-4-6-14(20)13-11-17-8-9-18-13/h3,5,7-9,11,14H,2,4,6,10H2,1H3/t14-/m1/s1
InChIKeyYRWLASMXQMINPN-CQSZACIVSA-N
XLogP2.25
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]-quinolin-5-ylmethanone
CID 124982262
(2-ethoxy-3-pyridinyl)-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
CID 125016079
1-(2-pyrazin-2-ylpyrrolidin-1-yl)propan-1-one
CID 73439555
(2-ethoxy-3-pyridinyl)-[(2S)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 92593239
pyrazin-2-yl-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone
CID 124992078
5-[(2R)-1-(2-ethoxypyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 100677325
(6-methoxy-3-pyridinyl)-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone
CID 124968333
(2-ethoxy-3-pyridinyl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 127246482
[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95841727
N-[4-[(2S)-2-pyrazin-2-ylpyrrolidine-1-carbonyl]-2-pyridinyl]acetamide
CID 124966721
1-(2-pyrazin-2-ylpiperidin-1-yl)ethanone
CID 73438981
N-[[6-[1-(2-methoxypyridine-3-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107813

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-3-pyridinyl)-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (2-ethoxy-3-pyridinyl)-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone (CID 125022626) is (2-ethoxy-3-pyridinyl)-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-ethoxy-3-pyridinyl)-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (2-ethoxy-3-pyridinyl)-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone is CCOc1ncccc1C(=O)N1CCC[C@@H]1c1cnccn1.
What is the InChIKey of (2-ethoxy-3-pyridinyl)-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone?
The InChIKey is YRWLASMXQMINPN-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-2-22-15-12(5-3-7-19-15)16(21)20-10-4-6-14(20)13-11-17-8-9-18-13/h3,5,7-9,11,14H,2,4,6,10H2,1H3/t14-/m1/s1.
What are the key properties of (2-ethoxy-3-pyridinyl)-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone?
(2-ethoxy-3-pyridinyl)-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone has a molecular weight of 298.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-3-pyridinyl)-[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 125022626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).