N-(4-acetylphenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

C20H17N3O5 — CID 4113283

IUPACN-(4-acetylphenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCOc1cccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc(C(C)=O)cc3)c2=O)c1
InChIInChI=1S/C20H17N3O5/c1-12(24)13-6-8-14(9-7-13)22-18(25)17-11-21-20(27)23(19(17)26)15-4-3-5-16(10-15)28-2/h3-11H,1-2H3,(H,21,27)(H,22,25)
InChIKeyFKUVWGDHEKYIFI-UHFFFAOYSA-N
MW379.37 g/mol
LogP1.99
Rot. Bonds5

About N-(4-acetylphenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-(4-acetylphenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 4113283) has the molecular formula C20H17N3O5 and a molecular weight of 379.37 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID4113283
Molecular FormulaC20H17N3O5
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC NameN-(4-acetylphenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCOc1cccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc(C(C)=O)cc3)c2=O)c1
InChIInChI=1S/C20H17N3O5/c1-12(24)13-6-8-14(9-7-13)22-18(25)17-11-21-20(27)23(19(17)26)15-4-3-5-16(10-15)28-2/h3-11H,1-2H3,(H,21,27)(H,22,25)
InChIKeyFKUVWGDHEKYIFI-UHFFFAOYSA-N
XLogP1.99
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dichlorophenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7080837
N-(4-carbamoylphenyl)-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 5096654
3-(4-methoxyphenyl)-N-(3-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 5142971
N,3-bis(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 41028331
N-(3-acetamidophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 4098818
methyl 4-[[3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate
CID 7137421
methyl 4-[[3-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate
CID 7137362
N-(3-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137394
N-(2,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 41028328
N-(4-ethylphenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 3473028
3-(3-methoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 82475750
3-(3,4-dimethoxyphenyl)-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide
CID 16815268

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 4113283) is N-(4-acetylphenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is COc1cccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc(C(C)=O)cc3)c2=O)c1.
What is the InChIKey of N-(4-acetylphenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is FKUVWGDHEKYIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5/c1-12(24)13-6-8-14(9-7-13)22-18(25)17-11-21-20(27)23(19(17)26)15-4-3-5-16(10-15)28-2/h3-11H,1-2H3,(H,21,27)(H,22,25).
What are the key properties of N-(4-acetylphenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-(4-acetylphenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 379.37 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 4113283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).