N-[(Z)-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide

C18H15N5O5 — CID 135956875

IUPACN-[(Z)-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide
SMILESCOc1ccc(-n2c(O)c(/C=N\NC(=O)c3ccncc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C18H15N5O5/c1-28-13-4-2-12(3-5-13)23-17(26)14(16(25)21-18(23)27)10-20-22-15(24)11-6-8-19-9-7-11/h2-10,26H,1H3,(H,22,24)(H,21,25,27)/b20-10-
InChIKeyUQBQTIIXPZKGCU-JMIUGGIZSA-N
MW381.35 g/mol
LogP0.40
Rot. Bonds5

About N-[(Z)-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide

N-[(Z)-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide (PubChem CID 135956875) has the molecular formula C18H15N5O5 and a molecular weight of 381.35 g/mol. Its IUPAC name is N-[(Z)-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide
PubChem CID135956875
Molecular FormulaC18H15N5O5
Molecular Weight381.35 g/mol
Exact Mass381.11
IUPAC NameN-[(Z)-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide
SMILESCOc1ccc(-n2c(O)c(/C=N\NC(=O)c3ccncc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C18H15N5O5/c1-28-13-4-2-12(3-5-13)23-17(26)14(16(25)21-18(23)27)10-20-22-15(24)11-6-8-19-9-7-11/h2-10,26H,1H3,(H,22,24)(H,21,25,27)/b20-10-
InChIKeyUQBQTIIXPZKGCU-JMIUGGIZSA-N
XLogP0.40
TPSA138.67 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[(Z)-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(E)-[6-hydroxy-2,4-dioxo-1-(4-propan-2-ylphenyl)pyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide
CID 135451611
2-hydroxy-N-[[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide
CID 1391445
N-[(E)-[1-(4-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide
CID 135469735
N-[(Z)-1-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]propylideneamino]pyridine-4-carboxamide
CID 137230094
N-[(E)-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylideneamino]pyridine-3-carboxamide
CID 135733865
N-[[1-(4-bromophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-3-carboxamide
CID 5030378
N-[(E)-[1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide
CID 135429727
N-[(E)-[1-(3-chlorophenyl)-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide
CID 135469715
N-[(E)-[6-hydroxy-1-(2-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-3-carboxamide
CID 135716465
6-hydroxy-1-(4-methoxyphenyl)-5-[[(4-nitrophenyl)hydrazinylidene]methyl]pyrimidine-2,4-dione
CID 137073995
N-[(Z)-[1-(2-fluorophenyl)-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide
CID 137289259
N-[(E)-[1-(4-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]pentanamide
CID 135440877

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(Z)-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide (CID 135956875) is N-[(Z)-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(Z)-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(Z)-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide is COc1ccc(-n2c(O)c(/C=N\NC(=O)c3ccncc3)c(=O)[nH]c2=O)cc1.
What is the InChIKey of N-[(Z)-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide?
The InChIKey is UQBQTIIXPZKGCU-JMIUGGIZSA-N. The full InChI is InChI=1S/C18H15N5O5/c1-28-13-4-2-12(3-5-13)23-17(26)14(16(25)21-18(23)27)10-20-22-15(24)11-6-8-19-9-7-11/h2-10,26H,1H3,(H,22,24)(H,21,25,27)/b20-10-.
What are the key properties of N-[(Z)-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide?
N-[(Z)-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide has a molecular weight of 381.35 g/mol, XLogP of 0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 135956875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).