N-[(Z)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]-4-methylbenzamide

C14H14N4O4 — CID 135912944

IUPACN-[(Z)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]-4-methylbenzamide
SMILESC/C(=N/NC(=O)c1ccc(C)cc1)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C14H14N4O4/c1-7-3-5-9(6-4-7)11(19)18-17-8(2)10-12(20)15-14(22)16-13(10)21/h3-6H,1-2H3,(H,18,19)(H3,15,16,20,21,22)/b17-8-
InChIKeyQBPQJFYNJNEBNP-IUXPMGMMSA-N
MW302.29 g/mol
LogP0.23
Rot. Bonds3

About N-[(Z)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]-4-methylbenzamide

N-[(Z)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]-4-methylbenzamide (PubChem CID 135912944) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is N-[(Z)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]-4-methylbenzamide
PubChem CID135912944
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC NameN-[(Z)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]-4-methylbenzamide
SMILESC/C(=N/NC(=O)c1ccc(C)cc1)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C14H14N4O4/c1-7-3-5-9(6-4-7)11(19)18-17-8(2)10-12(20)15-14(22)16-13(10)21/h3-6H,1-2H3,(H,18,19)(H3,15,16,20,21,22)/b17-8-
InChIKeyQBPQJFYNJNEBNP-IUXPMGMMSA-N
XLogP0.23
TPSA127.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 50.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide
CID 136661545
N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]-4-methylbenzamide
CID 135685410
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-methylbenzamide
CID 6041987
3,5-dihydroxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 5406605
N-[(E)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]heptanamide
CID 135493370
3,4,5-trihydroxy-N-[1-(4-methylphenyl)ethylideneamino]benzamide
CID 5009394
5-ethanehydrazonoyl-6-hydroxy-1H-pyrimidine-2,4-dione
CID 154186624
4-hydroxy-N-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]benzamide
CID 135458602
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 135625926
4-chloro-N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]benzamide
CID 135607776
[1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]urea
CID 5189325
N,N'-bis[1-(4-methylphenyl)ethylideneamino]oxamide
CID 2831844

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]-4-methylbenzamide?
The IUPAC name of N-[(Z)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]-4-methylbenzamide (CID 135912944) is N-[(Z)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]-4-methylbenzamide.
What is the SMILES notation for N-[(Z)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]-4-methylbenzamide?
The canonical SMILES for N-[(Z)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]-4-methylbenzamide is C/C(=N/NC(=O)c1ccc(C)cc1)c1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-[(Z)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]-4-methylbenzamide?
The InChIKey is QBPQJFYNJNEBNP-IUXPMGMMSA-N. The full InChI is InChI=1S/C14H14N4O4/c1-7-3-5-9(6-4-7)11(19)18-17-8(2)10-12(20)15-14(22)16-13(10)21/h3-6H,1-2H3,(H,18,19)(H3,15,16,20,21,22)/b17-8-.
What are the key properties of N-[(Z)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]-4-methylbenzamide?
N-[(Z)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]-4-methylbenzamide has a molecular weight of 302.29 g/mol, XLogP of 0.23, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]-4-methylbenzamide is sourced from PubChem (CID 135912944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).