N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-fluorophenyl)acetamide

C17H13ClFN3O2 — CID 18566155

IUPACN-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-fluorophenyl)acetamide
SMILESCc1nc2ccc(Cl)cn2c(=O)c1NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C17H13ClFN3O2/c1-10-16(17(24)22-9-12(18)4-7-14(22)20-10)21-15(23)8-11-2-5-13(19)6-3-11/h2-7,9H,8H2,1H3,(H,21,23)
InChIKeyWVRAEMXWNKLMPL-UHFFFAOYSA-N
MW345.76 g/mol
LogP2.98
Rot. Bonds3

About N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-fluorophenyl)acetamide

N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-fluorophenyl)acetamide (PubChem CID 18566155) has the molecular formula C17H13ClFN3O2 and a molecular weight of 345.76 g/mol. Its IUPAC name is N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-fluorophenyl)acetamide
PubChem CID18566155
Molecular FormulaC17H13ClFN3O2
Molecular Weight345.76 g/mol
Exact Mass345.07
IUPAC NameN-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-fluorophenyl)acetamide
SMILESCc1nc2ccc(Cl)cn2c(=O)c1NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C17H13ClFN3O2/c1-10-16(17(24)22-9-12(18)4-7-14(22)20-10)21-15(23)8-11-2-5-13(19)6-3-11/h2-7,9H,8H2,1H3,(H,21,23)
InChIKeyWVRAEMXWNKLMPL-UHFFFAOYSA-N
XLogP2.98
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.76
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-fluorophenyl)acetamide (CID 18566155) is N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-fluorophenyl)acetamide is Cc1nc2ccc(Cl)cn2c(=O)c1NC(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-fluorophenyl)acetamide?
The InChIKey is WVRAEMXWNKLMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O2/c1-10-16(17(24)22-9-12(18)4-7-14(22)20-10)21-15(23)8-11-2-5-13(19)6-3-11/h2-7,9H,8H2,1H3,(H,21,23).
What are the key properties of N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-fluorophenyl)acetamide?
N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-fluorophenyl)acetamide has a molecular weight of 345.76 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 18566155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).