N-(3-acetamidophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide

C18H16N4O4 — CID 121090680

IUPACN-(3-acetamidophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)Cn2cnc(-c3ccco3)cc2=O)c1
InChIInChI=1S/C18H16N4O4/c1-12(23)20-13-4-2-5-14(8-13)21-17(24)10-22-11-19-15(9-18(22)25)16-6-3-7-26-16/h2-9,11H,10H2,1H3,(H,20,23)(H,21,24)
InChIKeyGDTRBUIHPOVTLQ-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.10
Rot. Bonds5

About N-(3-acetamidophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide

N-(3-acetamidophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide (PubChem CID 121090680) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
PubChem CID121090680
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC NameN-(3-acetamidophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)Cn2cnc(-c3ccco3)cc2=O)c1
InChIInChI=1S/C18H16N4O4/c1-12(23)20-13-4-2-5-14(8-13)21-17(24)10-22-11-19-15(9-18(22)25)16-6-3-7-26-16/h2-9,11H,10H2,1H3,(H,20,23)(H,21,24)
InChIKeyGDTRBUIHPOVTLQ-UHFFFAOYSA-N
XLogP2.10
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[3-(methanesulfonamido)phenyl]acetamide
CID 121090719
N-(4-fluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090675
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-quinolin-6-ylacetamide
CID 121090721
N-(4-butylphenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090581
N-(2,5-difluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090685
N-[2-[[2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetyl]amino]ethyl]-4-(propanoylamino)benzamide
CID 121090735
N-(1,3-benzothiazol-2-yl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090557
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(2-oxochromen-3-yl)acetamide
CID 121090653
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 121090531
N-[2-(4-fluorophenyl)ethyl]-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090714
N-ethyl-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-phenylacetamide
CID 121090622
3-(furan-2-yl)-1-phenyl-N-[3-(propanoylamino)phenyl]pyrazole-5-carboxamide
CID 46569851

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide (CID 121090680) is N-(3-acetamidophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide is CC(=O)Nc1cccc(NC(=O)Cn2cnc(-c3ccco3)cc2=O)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide?
The InChIKey is GDTRBUIHPOVTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4/c1-12(23)20-13-4-2-5-14(8-13)21-17(24)10-22-11-19-15(9-18(22)25)16-6-3-7-26-16/h2-9,11H,10H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(3-acetamidophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide?
N-(3-acetamidophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide has a molecular weight of 352.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 121090680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).