4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide

C17H15N3O2 — CID 750142

IUPAC4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1cnc2ccccn2c1=O
InChIInChI=1S/C17H15N3O2/c21-16(18-10-9-13-6-2-1-3-7-13)14-12-19-15-8-4-5-11-20(15)17(14)22/h1-8,11-12H,9-10H2,(H,18,21)
InChIKeyQNTFTJIXZAWMPO-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.67
Rot. Bonds4

About 4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide

4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 750142) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID750142
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1cnc2ccccn2c1=O
InChIInChI=1S/C17H15N3O2/c21-16(18-10-9-13-6-2-1-3-7-13)14-12-19-15-8-4-5-11-20(15)17(14)22/h1-8,11-12H,9-10H2,(H,18,21)
InChIKeyQNTFTJIXZAWMPO-UHFFFAOYSA-N
XLogP1.67
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide (CID 750142) is 4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NCCc1ccccc1)c1cnc2ccccn2c1=O.
What is the InChIKey of 4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is QNTFTJIXZAWMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c21-16(18-10-9-13-6-2-1-3-7-13)14-12-19-15-8-4-5-11-20(15)17(14)22/h1-8,11-12H,9-10H2,(H,18,21).
What are the key properties of 4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 750142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).