N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-fluorophenyl)acetamide

C18H16FN3O2 — CID 46355371

IUPACN-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-fluorophenyl)acetamide
SMILESCc1nc2c(C)cccn2c(=O)c1NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C18H16FN3O2/c1-11-4-3-9-22-17(11)20-12(2)16(18(22)24)21-15(23)10-13-5-7-14(19)8-6-13/h3-9H,10H2,1-2H3,(H,21,23)
InChIKeyPRADCDFXFQHCSF-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.63
Rot. Bonds3

About N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-fluorophenyl)acetamide

N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-fluorophenyl)acetamide (PubChem CID 46355371) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-fluorophenyl)acetamide
PubChem CID46355371
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC NameN-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-fluorophenyl)acetamide
SMILESCc1nc2c(C)cccn2c(=O)c1NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C18H16FN3O2/c1-11-4-3-9-22-17(11)20-12(2)16(18(22)24)21-15(23)10-13-5-7-14(19)8-6-13/h3-9H,10H2,1-2H3,(H,21,23)
InChIKeyPRADCDFXFQHCSF-UHFFFAOYSA-N
XLogP2.63
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-fluorophenyl)acetamide (CID 46355371) is N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-fluorophenyl)acetamide is Cc1nc2c(C)cccn2c(=O)c1NC(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-fluorophenyl)acetamide?
The InChIKey is PRADCDFXFQHCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-11-4-3-9-22-17(11)20-12(2)16(18(22)24)21-15(23)10-13-5-7-14(19)8-6-13/h3-9H,10H2,1-2H3,(H,21,23).
What are the key properties of N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-fluorophenyl)acetamide?
N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-fluorophenyl)acetamide has a molecular weight of 325.34 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 46355371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).