N-[3-(2-fluorophenoxy)propyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C19H18FN3O3 — CID 46976395

IUPACN-[3-(2-fluorophenoxy)propyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccn2c(=O)c(C(=O)NCCCOc3ccccc3F)cnc12
InChIInChI=1S/C19H18FN3O3/c1-13-6-4-10-23-17(13)22-12-14(19(23)25)18(24)21-9-5-11-26-16-8-3-2-7-15(16)20/h2-4,6-8,10,12H,5,9,11H2,1H3,(H,21,24)
InChIKeyFKWVFYZJYZCWKB-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.34
Rot. Bonds6

About N-[3-(2-fluorophenoxy)propyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[3-(2-fluorophenoxy)propyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 46976395) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-[3-(2-fluorophenoxy)propyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-fluorophenoxy)propyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID46976395
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC NameN-[3-(2-fluorophenoxy)propyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccn2c(=O)c(C(=O)NCCCOc3ccccc3F)cnc12
InChIInChI=1S/C19H18FN3O3/c1-13-6-4-10-23-17(13)22-12-14(19(23)25)18(24)21-9-5-11-26-16-8-3-2-7-15(16)20/h2-4,6-8,10,12H,5,9,11H2,1H3,(H,21,24)
InChIKeyFKWVFYZJYZCWKB-UHFFFAOYSA-N
XLogP2.34
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[3-(2-fluorophenoxy)propyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(2-fluorophenoxy)propyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 46976395) is N-[3-(2-fluorophenoxy)propyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(2-fluorophenoxy)propyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(2-fluorophenoxy)propyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1cccn2c(=O)c(C(=O)NCCCOc3ccccc3F)cnc12.
What is the InChIKey of N-[3-(2-fluorophenoxy)propyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is FKWVFYZJYZCWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-13-6-4-10-23-17(13)22-12-14(19(23)25)18(24)21-9-5-11-26-16-8-3-2-7-15(16)20/h2-4,6-8,10,12H,5,9,11H2,1H3,(H,21,24).
What are the key properties of N-[3-(2-fluorophenoxy)propyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[3-(2-fluorophenoxy)propyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorophenoxy)propyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 46976395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).