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

C15H17N3O2 — CID 16614664

IUPAC3-(azepane-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2ccccn2c1=O)N1CCCCCC1
InChIInChI=1S/C15H17N3O2/c19-14(17-8-4-1-2-5-9-17)12-11-16-13-7-3-6-10-18(13)15(12)20/h3,6-7,10-11H,1-2,4-5,8-9H2
InChIKeyZOUCEUGPLXMMPC-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.71
Rot. Bonds1

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

3-(azepane-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 16614664) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-(azepane-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(azepane-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID16614664
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-(azepane-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2ccccn2c1=O)N1CCCCCC1
InChIInChI=1S/C15H17N3O2/c19-14(17-8-4-1-2-5-9-17)12-11-16-13-7-3-6-10-18(13)15(12)20/h3,6-7,10-11H,1-2,4-5,8-9H2
InChIKeyZOUCEUGPLXMMPC-UHFFFAOYSA-N
XLogP1.71
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(azepane-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(azepane-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one (CID 16614664) is 3-(azepane-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(azepane-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(azepane-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one is O=C(c1cnc2ccccn2c1=O)N1CCCCCC1.
What is the InChIKey of 3-(azepane-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZOUCEUGPLXMMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-14(17-8-4-1-2-5-9-17)12-11-16-13-7-3-6-10-18(13)15(12)20/h3,6-7,10-11H,1-2,4-5,8-9H2.
What are the key properties of 3-(azepane-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
3-(azepane-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 271.32 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepane-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 16614664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).