2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

C14H15N5O2 — CID 106416440

IUPAC2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1noc(CCNCc2cc(=O)n3ccccc3n2)n1
InChIInChI=1S/C14H15N5O2/c1-10-16-13(21-18-10)5-6-15-9-11-8-14(20)19-7-3-2-4-12(19)17-11/h2-4,7-8,15H,5-6,9H2,1H3
InChIKeyOOPHNAKDIGDHDP-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.72
Rot. Bonds5

About 2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 106416440) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID106416440
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1noc(CCNCc2cc(=O)n3ccccc3n2)n1
InChIInChI=1S/C14H15N5O2/c1-10-16-13(21-18-10)5-6-15-9-11-8-14(20)19-7-3-2-4-12(19)17-11/h2-4,7-8,15H,5-6,9H2,1H3
InChIKeyOOPHNAKDIGDHDP-UHFFFAOYSA-N
XLogP0.72
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 106416440) is 2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1noc(CCNCc2cc(=O)n3ccccc3n2)n1.
What is the InChIKey of 2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is OOPHNAKDIGDHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-10-16-13(21-18-10)5-6-15-9-11-8-14(20)19-7-3-2-4-12(19)17-11/h2-4,7-8,15H,5-6,9H2,1H3.
What are the key properties of 2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 285.31 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 106416440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).