N-[[1-(4-bromophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-3-carboxamide

C17H12BrN5O4 — CID 5030378

IUPACN-[[1-(4-bromophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-3-carboxamide
SMILESO=C(NN=Cc1c(O)n(-c2ccc(Br)cc2)c(=O)[nH]c1=O)c1cccnc1
InChIInChI=1S/C17H12BrN5O4/c18-11-3-5-12(6-4-11)23-16(26)13(15(25)21-17(23)27)9-20-22-14(24)10-2-1-7-19-8-10/h1-9,26H,(H,22,24)(H,21,25,27)
InChIKeyOKEIOZSDMDJVHW-UHFFFAOYSA-N
MW430.22 g/mol
LogP1.15
Rot. Bonds4

About N-[[1-(4-bromophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-3-carboxamide

N-[[1-(4-bromophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-3-carboxamide (PubChem CID 5030378) has the molecular formula C17H12BrN5O4 and a molecular weight of 430.22 g/mol. Its IUPAC name is N-[[1-(4-bromophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-bromophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-3-carboxamide
PubChem CID5030378
Molecular FormulaC17H12BrN5O4
Molecular Weight430.22 g/mol
Exact Mass429.01
IUPAC NameN-[[1-(4-bromophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-3-carboxamide
SMILESO=C(NN=Cc1c(O)n(-c2ccc(Br)cc2)c(=O)[nH]c1=O)c1cccnc1
InChIInChI=1S/C17H12BrN5O4/c18-11-3-5-12(6-4-11)23-16(26)13(15(25)21-17(23)27)9-20-22-14(24)10-2-1-7-19-8-10/h1-9,26H,(H,22,24)(H,21,25,27)
InChIKeyOKEIOZSDMDJVHW-UHFFFAOYSA-N
XLogP1.15
TPSA129.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.22
LogP ≤ 51.15
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'}

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Related Compounds

N-[(E)-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylideneamino]pyridine-3-carboxamide
CID 135733865
N-[(E)-[1-(2-ethylphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-3-carboxamide
CID 135684719
N-[(E)-[6-hydroxy-1-(2-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-3-carboxamide
CID 135716465
N-[[1-(4-bromophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]-2-chlorobenzamide
CID 3372682
1-[(E)-[1-(4-bromophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-phenylurea
CID 135752219
N-[(E)-[6-hydroxy-2,4-dioxo-1-(4-propan-2-ylphenyl)pyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide
CID 135451611
N-[(Z)-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide
CID 135956875
N-[(E)-[1-(4-bromophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]heptanamide
CID 135481364
N-[(E)-[1-(4-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide
CID 135469735
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135428734
N-[[1-(2-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide
CID 5131295
2-[(E)-[1-(4-bromophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]guanidine
CID 135632095

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-bromophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[[1-(4-bromophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-3-carboxamide (CID 5030378) is N-[[1-(4-bromophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-(4-bromophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[[1-(4-bromophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-3-carboxamide is O=C(NN=Cc1c(O)n(-c2ccc(Br)cc2)c(=O)[nH]c1=O)c1cccnc1.
What is the InChIKey of N-[[1-(4-bromophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-3-carboxamide?
The InChIKey is OKEIOZSDMDJVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN5O4/c18-11-3-5-12(6-4-11)23-16(26)13(15(25)21-17(23)27)9-20-22-14(24)10-2-1-7-19-8-10/h1-9,26H,(H,22,24)(H,21,25,27).
What are the key properties of N-[[1-(4-bromophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-3-carboxamide?
N-[[1-(4-bromophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-3-carboxamide has a molecular weight of 430.22 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-bromophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 5030378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).