N-(3-acetamidophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide

C19H16N4O4 — CID 4098818

IUPACN-(3-acetamidophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2c[nH]c(=O)n(-c3ccccc3)c2=O)c1
InChIInChI=1S/C19H16N4O4/c1-12(24)21-13-6-5-7-14(10-13)22-17(25)16-11-20-19(27)23(18(16)26)15-8-3-2-4-9-15/h2-11H,1H3,(H,20,27)(H,21,24)(H,22,25)
InChIKeyIRZJOHCEDJCFPE-UHFFFAOYSA-N
MW364.36 g/mol
LogP1.74
Rot. Bonds4

About N-(3-acetamidophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide

N-(3-acetamidophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide (PubChem CID 4098818) has the molecular formula C19H16N4O4 and a molecular weight of 364.36 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
PubChem CID4098818
Molecular FormulaC19H16N4O4
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC NameN-(3-acetamidophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2c[nH]c(=O)n(-c3ccccc3)c2=O)c1
InChIInChI=1S/C19H16N4O4/c1-12(24)21-13-6-5-7-14(10-13)22-17(25)16-11-20-19(27)23(18(16)26)15-8-3-2-4-9-15/h2-11H,1H3,(H,20,27)(H,21,24)(H,22,25)
InChIKeyIRZJOHCEDJCFPE-UHFFFAOYSA-N
XLogP1.74
TPSA113.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 16815209
2,4-dioxo-3-phenyl-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide
CID 3473471
3-(4-methoxyphenyl)-N-(3-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 5142971
N-(3-acetamidophenyl)-2,4-dioxo-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026413
N-(4-acetylphenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 4113283
N-(3-acetamidophenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025685
N-(3-chlorophenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 4108044
N-(3,5-dichlorophenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7080837
3-(3,4-dimethylphenyl)-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide
CID 3627238
N,3-bis(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 41028331
N-[3-(methanesulfonamido)phenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 56766087
3-(4-ethoxyphenyl)-N-(3-nitrophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137314

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide (CID 4098818) is N-(3-acetamidophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide is CC(=O)Nc1cccc(NC(=O)c2c[nH]c(=O)n(-c3ccccc3)c2=O)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide?
The InChIKey is IRZJOHCEDJCFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4/c1-12(24)21-13-6-5-7-14(10-13)22-17(25)16-11-20-19(27)23(18(16)26)15-8-3-2-4-9-15/h2-11H,1H3,(H,20,27)(H,21,24)(H,22,25).
What are the key properties of N-(3-acetamidophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide?
N-(3-acetamidophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide has a molecular weight of 364.36 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 4098818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).