2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-pyridin-3-ylacetamide

C15H21N5O3 — CID 77162235

IUPAC2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-pyridin-3-ylacetamide
SMILESO=C(CC1NC(=O)CC(N2CCOCC2)N1)Nc1cccnc1
InChIInChI=1S/C15H21N5O3/c21-14(17-11-2-1-3-16-10-11)8-12-18-13(9-15(22)19-12)20-4-6-23-7-5-20/h1-3,10,12-13,18H,4-9H2,(H,17,21)(H,19,22)
InChIKeyXCQPYUFPTFQVTH-UHFFFAOYSA-N
MW319.36 g/mol
LogP-0.50
Rot. Bonds4

About 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-pyridin-3-ylacetamide

2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-pyridin-3-ylacetamide (PubChem CID 77162235) has the molecular formula C15H21N5O3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-pyridin-3-ylacetamide
PubChem CID77162235
Molecular FormulaC15H21N5O3
Molecular Weight319.36 g/mol
Exact Mass319.16
IUPAC Name2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-pyridin-3-ylacetamide
SMILESO=C(CC1NC(=O)CC(N2CCOCC2)N1)Nc1cccnc1
InChIInChI=1S/C15H21N5O3/c21-14(17-11-2-1-3-16-10-11)8-12-18-13(9-15(22)19-12)20-4-6-23-7-5-20/h1-3,10,12-13,18H,4-9H2,(H,17,21)(H,19,22)
InChIKeyXCQPYUFPTFQVTH-UHFFFAOYSA-N
XLogP-0.50
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-pyridin-3-ylacetamide?
The IUPAC name of 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-pyridin-3-ylacetamide (CID 77162235) is 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-pyridin-3-ylacetamide is O=C(CC1NC(=O)CC(N2CCOCC2)N1)Nc1cccnc1.
What is the InChIKey of 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-pyridin-3-ylacetamide?
The InChIKey is XCQPYUFPTFQVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c21-14(17-11-2-1-3-16-10-11)8-12-18-13(9-15(22)19-12)20-4-6-23-7-5-20/h1-3,10,12-13,18H,4-9H2,(H,17,21)(H,19,22).
What are the key properties of 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-pyridin-3-ylacetamide?
2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-pyridin-3-ylacetamide has a molecular weight of 319.36 g/mol, XLogP of -0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-pyridin-3-ylacetamide is sourced from PubChem (CID 77162235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).