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

C17H15N3O2S — CID 51216871

IUPACN-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(SCc2cc(=O)n3ccccc3n2)cc1
InChIInChI=1S/C17H15N3O2S/c1-12(21)18-13-5-7-15(8-6-13)23-11-14-10-17(22)20-9-3-2-4-16(20)19-14/h2-10H,11H2,1H3,(H,18,21)
InChIKeyFSQGXQIZPLKHEE-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.95
Rot. Bonds4

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

N-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]phenyl]acetamide (PubChem CID 51216871) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]phenyl]acetamide
PubChem CID51216871
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC NameN-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(SCc2cc(=O)n3ccccc3n2)cc1
InChIInChI=1S/C17H15N3O2S/c1-12(21)18-13-5-7-15(8-6-13)23-11-14-10-17(22)20-9-3-2-4-16(20)19-14/h2-10H,11H2,1H3,(H,18,21)
InChIKeyFSQGXQIZPLKHEE-UHFFFAOYSA-N
XLogP2.95
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfonyl]phenyl]acetamide
CID 47051837
1-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]phenyl]-3-phenylurea
CID 46331981
N-(4-acetamidophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 31702330
1-(2-methylphenyl)-3-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]phenyl]urea
CID 46331989
2-ethyl-N-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]phenyl]butanamide
CID 46331830
N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 22580428
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 51210410
ethyl 2-[[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]phenyl]carbamoylamino]benzoate
CID 46331995
5-acetyl-6-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carbonitrile
CID 18203396
2-[(4-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60671462
2-[(3-aminopyrazin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 106678774
N-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 46355928

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]phenyl]acetamide?
The IUPAC name of N-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]phenyl]acetamide (CID 51216871) is N-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]phenyl]acetamide is CC(=O)Nc1ccc(SCc2cc(=O)n3ccccc3n2)cc1.
What is the InChIKey of N-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]phenyl]acetamide?
The InChIKey is FSQGXQIZPLKHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-12(21)18-13-5-7-15(8-6-13)23-11-14-10-17(22)20-9-3-2-4-16(20)19-14/h2-10H,11H2,1H3,(H,18,21).
What are the key properties of N-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]phenyl]acetamide?
N-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]phenyl]acetamide has a molecular weight of 325.39 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]phenyl]acetamide is sourced from PubChem (CID 51216871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).