3-[(1R,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one

C19H24N4O3 — CID 70771408

IUPAC3-[(1R,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCOCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cnc3ccccn3c1=O)C2
InChIInChI=1S/C19H24N4O3/c1-26-9-8-21-11-14-5-6-15(21)13-22(12-14)18(24)16-10-20-17-4-2-3-7-23(17)19(16)25/h2-4,7,10,14-15H,5-6,8-9,11-13H2,1H3/t14-,15-/m1/s1
InChIKeyXOPNSTRJCUFJBX-HUUCEWRRSA-N
MW356.43 g/mol
LogP0.88
Rot. Bonds4

About 3-[(1R,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one

3-[(1R,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 70771408) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-[(1R,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(1R,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID70771408
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name3-[(1R,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCOCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cnc3ccccn3c1=O)C2
InChIInChI=1S/C19H24N4O3/c1-26-9-8-21-11-14-5-6-15(21)13-22(12-14)18(24)16-10-20-17-4-2-3-7-23(17)19(16)25/h2-4,7,10,14-15H,5-6,8-9,11-13H2,1H3/t14-,15-/m1/s1
InChIKeyXOPNSTRJCUFJBX-HUUCEWRRSA-N
XLogP0.88
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[(1R,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[(1R,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one (CID 70771408) is 3-[(1R,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[(1R,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[(1R,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one is COCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cnc3ccccn3c1=O)C2.
What is the InChIKey of 3-[(1R,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is XOPNSTRJCUFJBX-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-26-9-8-21-11-14-5-6-15(21)13-22(12-14)18(24)16-10-20-17-4-2-3-7-23(17)19(16)25/h2-4,7,10,14-15H,5-6,8-9,11-13H2,1H3/t14-,15-/m1/s1.
What are the key properties of 3-[(1R,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
3-[(1R,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 356.43 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 70771408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).