N-(4-oxo-2-phenylpyrido[1,2-a]pyrimidin-6-yl)acetamide

C16H13N3O2 — CID 14686968

IUPACN-(4-oxo-2-phenylpyrido[1,2-a]pyrimidin-6-yl)acetamide
SMILESCC(=O)Nc1cccc2nc(-c3ccccc3)cc(=O)n12
InChIInChI=1S/C16H13N3O2/c1-11(20)17-14-8-5-9-15-18-13(10-16(21)19(14)15)12-6-3-2-4-7-12/h2-10H,1H3,(H,17,20)
InChIKeyQTGWBMJFZQYJNO-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.32
Rot. Bonds2

About N-(4-oxo-2-phenylpyrido[1,2-a]pyrimidin-6-yl)acetamide

N-(4-oxo-2-phenylpyrido[1,2-a]pyrimidin-6-yl)acetamide (PubChem CID 14686968) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(4-oxo-2-phenylpyrido[1,2-a]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-(4-oxo-2-phenylpyrido[1,2-a]pyrimidin-6-yl)acetamide
PubChem CID14686968
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC NameN-(4-oxo-2-phenylpyrido[1,2-a]pyrimidin-6-yl)acetamide
SMILESCC(=O)Nc1cccc2nc(-c3ccccc3)cc(=O)n12
InChIInChI=1S/C16H13N3O2/c1-11(20)17-14-8-5-9-15-18-13(10-16(21)19(14)15)12-6-3-2-4-7-12/h2-10H,1H3,(H,17,20)
InChIKeyQTGWBMJFZQYJNO-UHFFFAOYSA-N
XLogP2.32
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-2-phenylpyrido[1,2-a]pyrimidin-6-yl)acetamide?
The IUPAC name of N-(4-oxo-2-phenylpyrido[1,2-a]pyrimidin-6-yl)acetamide (CID 14686968) is N-(4-oxo-2-phenylpyrido[1,2-a]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-(4-oxo-2-phenylpyrido[1,2-a]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-(4-oxo-2-phenylpyrido[1,2-a]pyrimidin-6-yl)acetamide is CC(=O)Nc1cccc2nc(-c3ccccc3)cc(=O)n12.
What is the InChIKey of N-(4-oxo-2-phenylpyrido[1,2-a]pyrimidin-6-yl)acetamide?
The InChIKey is QTGWBMJFZQYJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-11(20)17-14-8-5-9-15-18-13(10-16(21)19(14)15)12-6-3-2-4-7-12/h2-10H,1H3,(H,17,20).
What are the key properties of N-(4-oxo-2-phenylpyrido[1,2-a]pyrimidin-6-yl)acetamide?
N-(4-oxo-2-phenylpyrido[1,2-a]pyrimidin-6-yl)acetamide has a molecular weight of 279.30 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-2-phenylpyrido[1,2-a]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 14686968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).