N-ethyl-2-[(4-fluorophenoxy)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide

C19H18FN3O3 — CID 122630851

IUPACN-ethyl-2-[(4-fluorophenoxy)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1c(C)ccc2nc(COc3ccc(F)cc3)cc(=O)n12
InChIInChI=1S/C19H18FN3O3/c1-3-21-19(25)18-12(2)4-9-16-22-14(10-17(24)23(16)18)11-26-15-7-5-13(20)6-8-15/h4-10H,3,11H2,1-2H3,(H,21,25)
InChIKeySLYSEOQRBVATEA-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.47
Rot. Bonds5

About N-ethyl-2-[(4-fluorophenoxy)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide

N-ethyl-2-[(4-fluorophenoxy)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide (PubChem CID 122630851) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-ethyl-2-[(4-fluorophenoxy)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[(4-fluorophenoxy)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide
PubChem CID122630851
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC NameN-ethyl-2-[(4-fluorophenoxy)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1c(C)ccc2nc(COc3ccc(F)cc3)cc(=O)n12
InChIInChI=1S/C19H18FN3O3/c1-3-21-19(25)18-12(2)4-9-16-22-14(10-17(24)23(16)18)11-26-15-7-5-13(20)6-8-15/h4-10H,3,11H2,1-2H3,(H,21,25)
InChIKeySLYSEOQRBVATEA-UHFFFAOYSA-N
XLogP2.47
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-fluorophenoxy)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-ethyl-2-[(4-fluorophenoxy)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide (CID 122630851) is N-ethyl-2-[(4-fluorophenoxy)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-ethyl-2-[(4-fluorophenoxy)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-ethyl-2-[(4-fluorophenoxy)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide is CCNC(=O)c1c(C)ccc2nc(COc3ccc(F)cc3)cc(=O)n12.
What is the InChIKey of N-ethyl-2-[(4-fluorophenoxy)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is SLYSEOQRBVATEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-3-21-19(25)18-12(2)4-9-16-22-14(10-17(24)23(16)18)11-26-15-7-5-13(20)6-8-15/h4-10H,3,11H2,1-2H3,(H,21,25).
What are the key properties of N-ethyl-2-[(4-fluorophenoxy)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide?
N-ethyl-2-[(4-fluorophenoxy)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-fluorophenoxy)methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 122630851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).