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

C18H23N3O2 — CID 49007667

IUPAC3-(4-propylazepane-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCCC1CCCN(CC1)C(=O)C2=CN=C3C=CC=CN3C2=O
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
InChIKeyGBXSJWCLIMUMFK-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.20
Rot. Bonds3

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

3-(4-Propylazepane-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 49007667) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-(4-propylazepane-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(4-Propylazepane-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID49007667
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-(4-propylazepane-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCCC1CCCN(CC1)C(=O)C2=CN=C3C=CC=CN3C2=O
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
InChIKeyGBXSJWCLIMUMFK-UHFFFAOYSA-N
XLogP2.20
TPSA53.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity616

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(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-(4-Propylazepane-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(4-Propylazepane-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one (CID 49007667) is 3-(4-propylazepane-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(4-Propylazepane-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(4-Propylazepane-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one is CCCC1CCCN(CC1)C(=O)C2=CN=C3C=CC=CN3C2=O.
What is the InChIKey of 3-(4-Propylazepane-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GBXSJWCLIMUMFK-UHFFFAOYSA-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.
What are the key properties of 3-(4-Propylazepane-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
3-(4-Propylazepane-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 313.40 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-Propylazepane-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 49007667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).