[2-(3-aminopyrazin-2-yl)morpholin-4-yl]-(2-ethoxy-3-pyridinyl)methanone

C16H19N5O3 — CID 110112819

IUPAC[2-(3-aminopyrazin-2-yl)morpholin-4-yl]-(2-ethoxy-3-pyridinyl)methanone
SMILESCCOc1ncccc1C(=O)N1CCOC(c2nccnc2N)C1
InChIInChI=1S/C16H19N5O3/c1-2-23-15-11(4-3-5-20-15)16(22)21-8-9-24-12(10-21)13-14(17)19-7-6-18-13/h3-7,12H,2,8-10H2,1H3,(H2,17,19)
InChIKeyXECJJHIQOGLYQP-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.07
Rot. Bonds4

About [2-(3-aminopyrazin-2-yl)morpholin-4-yl]-(2-ethoxy-3-pyridinyl)methanone

[2-(3-aminopyrazin-2-yl)morpholin-4-yl]-(2-ethoxy-3-pyridinyl)methanone (PubChem CID 110112819) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is [2-(3-aminopyrazin-2-yl)morpholin-4-yl]-(2-ethoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(3-aminopyrazin-2-yl)morpholin-4-yl]-(2-ethoxy-3-pyridinyl)methanone
PubChem CID110112819
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name[2-(3-aminopyrazin-2-yl)morpholin-4-yl]-(2-ethoxy-3-pyridinyl)methanone
SMILESCCOc1ncccc1C(=O)N1CCOC(c2nccnc2N)C1
InChIInChI=1S/C16H19N5O3/c1-2-23-15-11(4-3-5-20-15)16(22)21-8-9-24-12(10-21)13-14(17)19-7-6-18-13/h3-7,12H,2,8-10H2,1H3,(H2,17,19)
InChIKeyXECJJHIQOGLYQP-UHFFFAOYSA-N
XLogP1.07
TPSA103.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(3-aminopyrazin-2-yl)morpholin-4-yl]-(2-ethoxy-3-pyridinyl)methanone?
The IUPAC name of [2-(3-aminopyrazin-2-yl)morpholin-4-yl]-(2-ethoxy-3-pyridinyl)methanone (CID 110112819) is [2-(3-aminopyrazin-2-yl)morpholin-4-yl]-(2-ethoxy-3-pyridinyl)methanone.
What is the SMILES notation for [2-(3-aminopyrazin-2-yl)morpholin-4-yl]-(2-ethoxy-3-pyridinyl)methanone?
The canonical SMILES for [2-(3-aminopyrazin-2-yl)morpholin-4-yl]-(2-ethoxy-3-pyridinyl)methanone is CCOc1ncccc1C(=O)N1CCOC(c2nccnc2N)C1.
What is the InChIKey of [2-(3-aminopyrazin-2-yl)morpholin-4-yl]-(2-ethoxy-3-pyridinyl)methanone?
The InChIKey is XECJJHIQOGLYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-2-23-15-11(4-3-5-20-15)16(22)21-8-9-24-12(10-21)13-14(17)19-7-6-18-13/h3-7,12H,2,8-10H2,1H3,(H2,17,19).
What are the key properties of [2-(3-aminopyrazin-2-yl)morpholin-4-yl]-(2-ethoxy-3-pyridinyl)methanone?
[2-(3-aminopyrazin-2-yl)morpholin-4-yl]-(2-ethoxy-3-pyridinyl)methanone has a molecular weight of 329.36 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-aminopyrazin-2-yl)morpholin-4-yl]-(2-ethoxy-3-pyridinyl)methanone is sourced from PubChem (CID 110112819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).