N-(4-benzamidophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)-4-hydroxy-5-methoxybenzamide

C25H20N4O6 — CID 118716801

IUPACN-(4-benzamidophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)-4-hydroxy-5-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)cc(-c2c[nH]c(=O)[nH]c2=O)c1O
InChIInChI=1S/C25H20N4O6/c1-35-20-12-15(11-18(21(20)30)19-13-26-25(34)29-24(19)33)23(32)28-17-9-7-16(8-10-17)27-22(31)14-5-3-2-4-6-14/h2-13,30H,1H3,(H,27,31)(H,28,32)(H2,26,29,33,34)
InChIKeyYUKWRYCQCZPIHC-UHFFFAOYSA-N
MW472.46 g/mol
LogP2.95
Rot. Bonds6

About N-(4-benzamidophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)-4-hydroxy-5-methoxybenzamide

N-(4-benzamidophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)-4-hydroxy-5-methoxybenzamide (PubChem CID 118716801) has the molecular formula C25H20N4O6 and a molecular weight of 472.46 g/mol. Its IUPAC name is N-(4-benzamidophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)-4-hydroxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-(4-benzamidophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)-4-hydroxy-5-methoxybenzamide
PubChem CID118716801
Molecular FormulaC25H20N4O6
Molecular Weight472.46 g/mol
Exact Mass472.14
IUPAC NameN-(4-benzamidophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)-4-hydroxy-5-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)cc(-c2c[nH]c(=O)[nH]c2=O)c1O
InChIInChI=1S/C25H20N4O6/c1-35-20-12-15(11-18(21(20)30)19-13-26-25(34)29-24(19)33)23(32)28-17-9-7-16(8-10-17)27-22(31)14-5-3-2-4-6-14/h2-13,30H,1H3,(H,27,31)(H,28,32)(H2,26,29,33,34)
InChIKeyYUKWRYCQCZPIHC-UHFFFAOYSA-N
XLogP2.95
TPSA153.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.46
LogP ≤ 52.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-benzamidophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)-4-hydroxy-5-methoxybenzamide?
The IUPAC name of N-(4-benzamidophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)-4-hydroxy-5-methoxybenzamide (CID 118716801) is N-(4-benzamidophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)-4-hydroxy-5-methoxybenzamide.
What is the SMILES notation for N-(4-benzamidophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)-4-hydroxy-5-methoxybenzamide?
The canonical SMILES for N-(4-benzamidophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)-4-hydroxy-5-methoxybenzamide is COc1cc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)cc(-c2c[nH]c(=O)[nH]c2=O)c1O.
What is the InChIKey of N-(4-benzamidophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)-4-hydroxy-5-methoxybenzamide?
The InChIKey is YUKWRYCQCZPIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O6/c1-35-20-12-15(11-18(21(20)30)19-13-26-25(34)29-24(19)33)23(32)28-17-9-7-16(8-10-17)27-22(31)14-5-3-2-4-6-14/h2-13,30H,1H3,(H,27,31)(H,28,32)(H2,26,29,33,34).
What are the key properties of N-(4-benzamidophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)-4-hydroxy-5-methoxybenzamide?
N-(4-benzamidophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)-4-hydroxy-5-methoxybenzamide has a molecular weight of 472.46 g/mol, XLogP of 2.95, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzamidophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)-4-hydroxy-5-methoxybenzamide is sourced from PubChem (CID 118716801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).