N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide

C17H15N3O3 — CID 22580428

IUPACN-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCc2cc(=O)n3ccccc3n2)c1
InChIInChI=1S/C17H15N3O3/c1-12(21)18-13-5-4-6-15(9-13)23-11-14-10-17(22)20-8-3-2-7-16(20)19-14/h2-10H,11H2,1H3,(H,18,21)
InChIKeyLWVDNXMOVYLLOX-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.23
Rot. Bonds4

About N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide

N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide (PubChem CID 22580428) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
PubChem CID22580428
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC NameN-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCc2cc(=O)n3ccccc3n2)c1
InChIInChI=1S/C17H15N3O3/c1-12(21)18-13-5-4-6-15(9-13)23-11-14-10-17(22)20-8-3-2-7-16(20)19-14/h2-10H,11H2,1H3,(H,18,21)
InChIKeyLWVDNXMOVYLLOX-UHFFFAOYSA-N
XLogP2.23
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)-3-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46355912
2-(4-methylphenoxy)-N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 50802130
2-(2-methylphenoxy)-N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 50802127
N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-phenylpropanamide
CID 50802173
methyl 2-[[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate
CID 46355905
1-(2-chlorophenyl)-3-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46355902
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46355923
methyl 4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzoate
CID 51293876
N-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 46355928
1-(2-methoxyphenyl)-3-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46355960
2-[[3-(2-methoxyethoxy)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 87029682
1-(3-chloro-4-methylphenyl)-3-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46355951

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide?
The IUPAC name of N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide (CID 22580428) is N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide.
What is the SMILES notation for N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide?
The canonical SMILES for N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide is CC(=O)Nc1cccc(OCc2cc(=O)n3ccccc3n2)c1.
What is the InChIKey of N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide?
The InChIKey is LWVDNXMOVYLLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-12(21)18-13-5-4-6-15(9-13)23-11-14-10-17(22)20-8-3-2-7-16(20)19-14/h2-10H,11H2,1H3,(H,18,21).
What are the key properties of N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide?
N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide has a molecular weight of 309.33 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide is sourced from PubChem (CID 22580428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).