N-[2-(4-fluorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C17H14FN3O2 — CID 16614704

IUPACN-[2-(4-fluorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1cnc2ccccn2c1=O
InChIInChI=1S/C17H14FN3O2/c18-13-6-4-12(5-7-13)8-9-19-16(22)14-11-20-15-3-1-2-10-21(15)17(14)23/h1-7,10-11H,8-9H2,(H,19,22)
InChIKeyYDDSDJAIPLUYMK-UHFFFAOYSA-N
MW311.32 g/mol
LogP1.81
Rot. Bonds4

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

N-[2-(4-fluorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 16614704) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID16614704
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1cnc2ccccn2c1=O
InChIInChI=1S/C17H14FN3O2/c18-13-6-4-12(5-7-13)8-9-19-16(22)14-11-20-15-3-1-2-10-21(15)17(14)23/h1-7,10-11H,8-9H2,(H,19,22)
InChIKeyYDDSDJAIPLUYMK-UHFFFAOYSA-N
XLogP1.81
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 16614704) is N-[2-(4-fluorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NCCc1ccc(F)cc1)c1cnc2ccccn2c1=O.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is YDDSDJAIPLUYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c18-13-6-4-12(5-7-13)8-9-19-16(22)14-11-20-15-3-1-2-10-21(15)17(14)23/h1-7,10-11H,8-9H2,(H,19,22).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 311.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 16614704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).