N-[(E)-[6-hydroxy-1-[(4-methoxyphenyl)methyl]-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide

C20H18N4O5 — CID 135470005

IUPACN-[(E)-[6-hydroxy-1-[(4-methoxyphenyl)methyl]-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide
SMILESCOc1ccc(Cn2c(O)c(/C=N/NC(=O)c3ccccc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C20H18N4O5/c1-29-15-9-7-13(8-10-15)12-24-19(27)16(18(26)22-20(24)28)11-21-23-17(25)14-5-3-2-4-6-14/h2-11,27H,12H2,1H3,(H,23,25)(H,22,26,28)/b21-11+
InChIKeyWXFHNQYRZXFKLM-SRZZPIQSSA-N
MW394.39 g/mol
LogP1.06
Rot. Bonds6

About N-[(E)-[6-hydroxy-1-[(4-methoxyphenyl)methyl]-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide

N-[(E)-[6-hydroxy-1-[(4-methoxyphenyl)methyl]-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide (PubChem CID 135470005) has the molecular formula C20H18N4O5 and a molecular weight of 394.39 g/mol. Its IUPAC name is N-[(E)-[6-hydroxy-1-[(4-methoxyphenyl)methyl]-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-[6-hydroxy-1-[(4-methoxyphenyl)methyl]-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide
PubChem CID135470005
Molecular FormulaC20H18N4O5
Molecular Weight394.39 g/mol
Exact Mass394.13
IUPAC NameN-[(E)-[6-hydroxy-1-[(4-methoxyphenyl)methyl]-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide
SMILESCOc1ccc(Cn2c(O)c(/C=N/NC(=O)c3ccccc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C20H18N4O5/c1-29-15-9-7-13(8-10-15)12-24-19(27)16(18(26)22-20(24)28)11-21-23-17(25)14-5-3-2-4-6-14/h2-11,27H,12H2,1H3,(H,23,25)(H,22,26,28)/b21-11+
InChIKeyWXFHNQYRZXFKLM-SRZZPIQSSA-N
XLogP1.06
TPSA125.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-[6-hydroxy-1-[(4-methoxyphenyl)methyl]-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[6-hydroxy-1-[(4-methoxyphenyl)methyl]-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide?
The IUPAC name of N-[(E)-[6-hydroxy-1-[(4-methoxyphenyl)methyl]-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide (CID 135470005) is N-[(E)-[6-hydroxy-1-[(4-methoxyphenyl)methyl]-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide.
What is the SMILES notation for N-[(E)-[6-hydroxy-1-[(4-methoxyphenyl)methyl]-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide?
The canonical SMILES for N-[(E)-[6-hydroxy-1-[(4-methoxyphenyl)methyl]-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide is COc1ccc(Cn2c(O)c(/C=N/NC(=O)c3ccccc3)c(=O)[nH]c2=O)cc1.
What is the InChIKey of N-[(E)-[6-hydroxy-1-[(4-methoxyphenyl)methyl]-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide?
The InChIKey is WXFHNQYRZXFKLM-SRZZPIQSSA-N. The full InChI is InChI=1S/C20H18N4O5/c1-29-15-9-7-13(8-10-15)12-24-19(27)16(18(26)22-20(24)28)11-21-23-17(25)14-5-3-2-4-6-14/h2-11,27H,12H2,1H3,(H,23,25)(H,22,26,28)/b21-11+.
What are the key properties of N-[(E)-[6-hydroxy-1-[(4-methoxyphenyl)methyl]-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide?
N-[(E)-[6-hydroxy-1-[(4-methoxyphenyl)methyl]-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide has a molecular weight of 394.39 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[6-hydroxy-1-[(4-methoxyphenyl)methyl]-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide is sourced from PubChem (CID 135470005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).