N-(2-methoxy-4-nitrophenyl)-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide

C20H18N4O6 — CID 121063856

IUPACN-(2-methoxy-4-nitrophenyl)-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide
SMILESCOc1ccc(-c2cc(=O)n(CC(=O)Nc3ccc([N+](=O)[O-])cc3OC)cn2)cc1
InChIInChI=1S/C20H18N4O6/c1-29-15-6-3-13(4-7-15)17-10-20(26)23(12-21-17)11-19(25)22-16-8-5-14(24(27)28)9-18(16)30-2/h3-10,12H,11H2,1-2H3,(H,22,25)
InChIKeyBDUFGMYMSXYSRS-UHFFFAOYSA-N
MW410.39 g/mol
LogP2.47
Rot. Bonds7

About N-(2-methoxy-4-nitrophenyl)-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide

N-(2-methoxy-4-nitrophenyl)-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide (PubChem CID 121063856) has the molecular formula C20H18N4O6 and a molecular weight of 410.39 g/mol. Its IUPAC name is N-(2-methoxy-4-nitrophenyl)-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-4-nitrophenyl)-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide
PubChem CID121063856
Molecular FormulaC20H18N4O6
Molecular Weight410.39 g/mol
Exact Mass410.12
IUPAC NameN-(2-methoxy-4-nitrophenyl)-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide
SMILESCOc1ccc(-c2cc(=O)n(CC(=O)Nc3ccc([N+](=O)[O-])cc3OC)cn2)cc1
InChIInChI=1S/C20H18N4O6/c1-29-15-6-3-13(4-7-15)17-10-20(26)23(12-21-17)11-19(25)22-16-8-5-14(24(27)28)9-18(16)30-2/h3-10,12H,11H2,1-2H3,(H,22,25)
InChIKeyBDUFGMYMSXYSRS-UHFFFAOYSA-N
XLogP2.47
TPSA125.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-(2-methoxy-5-nitrophenyl)acetamide
CID 30935973
N-(2-methoxy-4-nitrophenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 8594223
N-(2-methoxy-4-nitrophenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7277764
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-nitrophenyl)acetamide
CID 121050441
N-(2,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
CID 121090783
N-(2-methoxy-4-nitrophenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3898640
N-(2-methoxy-4-nitrophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7713097
N-(2-methoxy-4-nitrophenyl)-2-(3-methylpyrazol-1-yl)acetamide
CID 19516847
N-(1H-benzimidazol-2-yl)-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide
CID 121063843
2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-(3-nitrophenyl)acetamide
CID 30935810
N-(2-methoxy-4-nitrophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide
CID 18586327
2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 7966759

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-nitrophenyl)-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide?
The IUPAC name of N-(2-methoxy-4-nitrophenyl)-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide (CID 121063856) is N-(2-methoxy-4-nitrophenyl)-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxy-4-nitrophenyl)-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide?
The canonical SMILES for N-(2-methoxy-4-nitrophenyl)-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide is COc1ccc(-c2cc(=O)n(CC(=O)Nc3ccc([N+](=O)[O-])cc3OC)cn2)cc1.
What is the InChIKey of N-(2-methoxy-4-nitrophenyl)-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide?
The InChIKey is BDUFGMYMSXYSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O6/c1-29-15-6-3-13(4-7-15)17-10-20(26)23(12-21-17)11-19(25)22-16-8-5-14(24(27)28)9-18(16)30-2/h3-10,12H,11H2,1-2H3,(H,22,25).
What are the key properties of N-(2-methoxy-4-nitrophenyl)-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide?
N-(2-methoxy-4-nitrophenyl)-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide has a molecular weight of 410.39 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-nitrophenyl)-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 121063856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).