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

C21H26N4O2 — CID 72922018

IUPAC3-[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2ccccn2c1=O)N1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2
InChIInChI=1S/C21H26N4O2/c26-20(18-10-22-19-6-1-2-9-25(19)21(18)27)24-13-16-7-8-17(14-24)23(12-16)11-15-4-3-5-15/h1-2,6,9-10,15-17H,3-5,7-8,11-14H2/t16-,17-/m1/s1
InChIKeyDMGNYQYHOAZMIL-IAGOWNOFSA-N
MW366.46 g/mol
LogP2.03
Rot. Bonds3

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

3-[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 72922018) has the molecular formula C21H26N4O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID72922018
Molecular FormulaC21H26N4O2
Molecular Weight366.46 g/mol
Exact Mass366.21
IUPAC Name3-[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2ccccn2c1=O)N1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2
InChIInChI=1S/C21H26N4O2/c26-20(18-10-22-19-6-1-2-9-25(19)21(18)27)24-13-16-7-8-17(14-24)23(12-16)11-15-4-3-5-15/h1-2,6,9-10,15-17H,3-5,7-8,11-14H2/t16-,17-/m1/s1
InChIKeyDMGNYQYHOAZMIL-IAGOWNOFSA-N
XLogP2.03
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one (CID 72922018) is 3-[(1R,5R)-6-(cyclobutylmethyl)-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-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one is O=C(c1cnc2ccccn2c1=O)N1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2.
What is the InChIKey of 3-[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DMGNYQYHOAZMIL-IAGOWNOFSA-N. The full InChI is InChI=1S/C21H26N4O2/c26-20(18-10-22-19-6-1-2-9-25(19)21(18)27)24-13-16-7-8-17(14-24)23(12-16)11-15-4-3-5-15/h1-2,6,9-10,15-17H,3-5,7-8,11-14H2/t16-,17-/m1/s1.
What are the key properties of 3-[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
3-[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 366.46 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 72922018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).