N-(3,5-difluorophenyl)-2-[methyl-(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]acetamide

C17H14F2N4O2 — CID 86805485

IUPACN-(3,5-difluorophenyl)-2-[methyl-(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]acetamide
SMILESCN(CC(=O)Nc1cc(F)cc(F)c1)c1cc(=O)n2ccccc2n1
InChIInChI=1S/C17H14F2N4O2/c1-22(10-16(24)20-13-7-11(18)6-12(19)8-13)15-9-17(25)23-5-3-2-4-14(23)21-15/h2-9H,10H2,1H3,(H,20,24)
InChIKeyZVEYZQNFCGUFLH-UHFFFAOYSA-N
MW344.32 g/mol
LogP2.05
Rot. Bonds4

About N-(3,5-difluorophenyl)-2-[methyl-(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]acetamide

N-(3,5-difluorophenyl)-2-[methyl-(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]acetamide (PubChem CID 86805485) has the molecular formula C17H14F2N4O2 and a molecular weight of 344.32 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-2-[methyl-(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-2-[methyl-(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]acetamide
PubChem CID86805485
Molecular FormulaC17H14F2N4O2
Molecular Weight344.32 g/mol
Exact Mass344.11
IUPAC NameN-(3,5-difluorophenyl)-2-[methyl-(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]acetamide
SMILESCN(CC(=O)Nc1cc(F)cc(F)c1)c1cc(=O)n2ccccc2n1
InChIInChI=1S/C17H14F2N4O2/c1-22(10-16(24)20-13-7-11(18)6-12(19)8-13)15-9-17(25)23-5-3-2-4-14(23)21-15/h2-9H,10H2,1H3,(H,20,24)
InChIKeyZVEYZQNFCGUFLH-UHFFFAOYSA-N
XLogP2.05
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-2-[methyl-(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]acetamide?
The IUPAC name of N-(3,5-difluorophenyl)-2-[methyl-(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]acetamide (CID 86805485) is N-(3,5-difluorophenyl)-2-[methyl-(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]acetamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-2-[methyl-(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]acetamide?
The canonical SMILES for N-(3,5-difluorophenyl)-2-[methyl-(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]acetamide is CN(CC(=O)Nc1cc(F)cc(F)c1)c1cc(=O)n2ccccc2n1.
What is the InChIKey of N-(3,5-difluorophenyl)-2-[methyl-(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]acetamide?
The InChIKey is ZVEYZQNFCGUFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O2/c1-22(10-16(24)20-13-7-11(18)6-12(19)8-13)15-9-17(25)23-5-3-2-4-14(23)21-15/h2-9H,10H2,1H3,(H,20,24).
What are the key properties of N-(3,5-difluorophenyl)-2-[methyl-(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]acetamide?
N-(3,5-difluorophenyl)-2-[methyl-(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]acetamide has a molecular weight of 344.32 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-2-[methyl-(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]acetamide is sourced from PubChem (CID 86805485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).