3-[(4R)-4-propylazepane-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one

C18H23N3O2 — CID 96548139

IUPAC3-[(4R)-4-propylazepane-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCC[C@@H]1CCCN(C(=O)c2cnc3ccccn3c2=O)CC1
InChIInChI=1S/C18H23N3O2/c1-2-6-14-7-5-10-20(12-9-14)17(22)15-13-19-16-8-3-4-11-21(16)18(15)23/h3-4,8,11,13-14H,2,5-7,9-10,12H2,1H3/t14-/m1/s1
InChIKeyGBXSJWCLIMUMFK-CQSZACIVSA-N
MW313.40 g/mol
LogP2.74
Rot. Bonds3

About 3-[(4R)-4-propylazepane-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one

3-[(4R)-4-propylazepane-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 96548139) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-[(4R)-4-propylazepane-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(4R)-4-propylazepane-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID96548139
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-[(4R)-4-propylazepane-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCC[C@@H]1CCCN(C(=O)c2cnc3ccccn3c2=O)CC1
InChIInChI=1S/C18H23N3O2/c1-2-6-14-7-5-10-20(12-9-14)17(22)15-13-19-16-8-3-4-11-21(16)18(15)23/h3-4,8,11,13-14H,2,5-7,9-10,12H2,1H3/t14-/m1/s1
InChIKeyGBXSJWCLIMUMFK-CQSZACIVSA-N
XLogP2.74
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(4R)-4-propylazepane-1-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-[(4R)-4-propylazepane-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[(4R)-4-propylazepane-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (CID 96548139) is 3-[(4R)-4-propylazepane-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[(4R)-4-propylazepane-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[(4R)-4-propylazepane-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is CCC[C@@H]1CCCN(C(=O)c2cnc3ccccn3c2=O)CC1.
What is the InChIKey of 3-[(4R)-4-propylazepane-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GBXSJWCLIMUMFK-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-2-6-14-7-5-10-20(12-9-14)17(22)15-13-19-16-8-3-4-11-21(16)18(15)23/h3-4,8,11,13-14H,2,5-7,9-10,12H2,1H3/t14-/m1/s1.
What are the key properties of 3-[(4R)-4-propylazepane-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
3-[(4R)-4-propylazepane-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 313.40 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-4-propylazepane-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 96548139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).