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

C15H9F2N3O2 — CID 4575142

IUPACN-(2,4-difluorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H9F2N3O2/c16-9-4-5-12(11(17)7-9)19-14(21)10-8-18-13-3-1-2-6-20(13)15(10)22/h1-8H,(H,19,21)
InChIKeyDLPSVMVCPBTKFF-UHFFFAOYSA-N
MW301.25 g/mol
LogP2.22
Rot. Bonds2

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

N-(2,4-difluorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 4575142) has the molecular formula C15H9F2N3O2 and a molecular weight of 301.25 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID4575142
Molecular FormulaC15H9F2N3O2
Molecular Weight301.25 g/mol
Exact Mass301.07
IUPAC NameN-(2,4-difluorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H9F2N3O2/c16-9-4-5-12(11(17)7-9)19-14(21)10-8-18-13-3-1-2-6-20(13)15(10)22/h1-8H,(H,19,21)
InChIKeyDLPSVMVCPBTKFF-UHFFFAOYSA-N
XLogP2.22
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.25
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 4575142) is N-(2,4-difluorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(Nc1ccc(F)cc1F)c1cnc2ccccn2c1=O.
What is the InChIKey of N-(2,4-difluorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is DLPSVMVCPBTKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2N3O2/c16-9-4-5-12(11(17)7-9)19-14(21)10-8-18-13-3-1-2-6-20(13)15(10)22/h1-8H,(H,19,21).
What are the key properties of N-(2,4-difluorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(2,4-difluorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 301.25 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4575142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).