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

C18H16FN3O3 — CID 16614923

IUPACN-[3-(2-fluorophenoxy)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCCCOc1ccccc1F)c1cnc2ccccn2c1=O
InChIInChI=1S/C18H16FN3O3/c19-14-6-1-2-7-15(14)25-11-5-9-20-17(23)13-12-21-16-8-3-4-10-22(16)18(13)24/h1-4,6-8,10,12H,5,9,11H2,(H,20,23)
InChIKeyDMNPTCVYRIWWQN-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.03
Rot. Bonds6

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

N-[3-(2-fluorophenoxy)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 16614923) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is N-[3-(2-fluorophenoxy)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-fluorophenoxy)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID16614923
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC NameN-[3-(2-fluorophenoxy)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCCCOc1ccccc1F)c1cnc2ccccn2c1=O
InChIInChI=1S/C18H16FN3O3/c19-14-6-1-2-7-15(14)25-11-5-9-20-17(23)13-12-21-16-8-3-4-10-22(16)18(13)24/h1-4,6-8,10,12H,5,9,11H2,(H,20,23)
InChIKeyDMNPTCVYRIWWQN-UHFFFAOYSA-N
XLogP2.03
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.03
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]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(2-fluorophenoxy)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 16614923) is N-[3-(2-fluorophenoxy)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(2-fluorophenoxy)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(2-fluorophenoxy)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NCCCOc1ccccc1F)c1cnc2ccccn2c1=O.
What is the InChIKey of N-[3-(2-fluorophenoxy)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is DMNPTCVYRIWWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c19-14-6-1-2-7-15(14)25-11-5-9-20-17(23)13-12-21-16-8-3-4-10-22(16)18(13)24/h1-4,6-8,10,12H,5,9,11H2,(H,20,23).
What are the key properties of N-[3-(2-fluorophenoxy)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[3-(2-fluorophenoxy)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 341.34 g/mol, XLogP of 2.03, 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]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 16614923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).