6-methyl-3-[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one

C18H20N4O3 — CID 70731766

IUPAC6-methyl-3-[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2ncc(C(=O)N3C[C@@H]4CC[C@H](C3)N(C)C4=O)c(=O)n12
InChIInChI=1S/C18H20N4O3/c1-11-4-3-5-15-19-8-14(18(25)22(11)15)17(24)21-9-12-6-7-13(10-21)20(2)16(12)23/h3-5,8,12-13H,6-7,9-10H2,1-2H3/t12-,13+/m0/s1
InChIKeyOIGYBPLVBSZROT-QWHCGFSZSA-N
MW340.38 g/mol
LogP0.70
Rot. Bonds1

About 6-methyl-3-[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one

6-methyl-3-[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 70731766) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 6-methyl-3-[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID70731766
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name6-methyl-3-[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2ncc(C(=O)N3C[C@@H]4CC[C@H](C3)N(C)C4=O)c(=O)n12
InChIInChI=1S/C18H20N4O3/c1-11-4-3-5-15-19-8-14(18(25)22(11)15)17(24)21-9-12-6-7-13(10-21)20(2)16(12)23/h3-5,8,12-13H,6-7,9-10H2,1-2H3/t12-,13+/m0/s1
InChIKeyOIGYBPLVBSZROT-QWHCGFSZSA-N
XLogP0.70
TPSA74.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-methyl-3-[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one (CID 70731766) is 6-methyl-3-[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one is Cc1cccc2ncc(C(=O)N3C[C@@H]4CC[C@H](C3)N(C)C4=O)c(=O)n12.
What is the InChIKey of 6-methyl-3-[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is OIGYBPLVBSZROT-QWHCGFSZSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11-4-3-5-15-19-8-14(18(25)22(11)15)17(24)21-9-12-6-7-13(10-21)20(2)16(12)23/h3-5,8,12-13H,6-7,9-10H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of 6-methyl-3-[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
6-methyl-3-[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 340.38 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 70731766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).