N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-phenyl-1,3-oxazol-4-yl)pyridine-3-carboxamide

C25H20N4O4 — CID 46870679

IUPACN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-phenyl-1,3-oxazol-4-yl)pyridine-3-carboxamide
SMILESNC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-c1coc(-c2ccccc2)n1
InChIInChI=1S/C25H20N4O4/c26-23(31)22(30)19(14-16-8-3-1-4-9-16)28-24(32)18-12-7-13-27-21(18)20-15-33-25(29-20)17-10-5-2-6-11-17/h1-13,15,19H,14H2,(H2,26,31)(H,28,32)
InChIKeyKVZXGPSAXRYQRQ-UHFFFAOYSA-N
MW440.46 g/mol
LogP2.80
Rot. Bonds8

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-phenyl-1,3-oxazol-4-yl)pyridine-3-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-phenyl-1,3-oxazol-4-yl)pyridine-3-carboxamide (PubChem CID 46870679) has the molecular formula C25H20N4O4 and a molecular weight of 440.46 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-phenyl-1,3-oxazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-phenyl-1,3-oxazol-4-yl)pyridine-3-carboxamide
PubChem CID46870679
Molecular FormulaC25H20N4O4
Molecular Weight440.46 g/mol
Exact Mass440.15
IUPAC NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-phenyl-1,3-oxazol-4-yl)pyridine-3-carboxamide
SMILESNC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-c1coc(-c2ccccc2)n1
InChIInChI=1S/C25H20N4O4/c26-23(31)22(30)19(14-16-8-3-1-4-9-16)28-24(32)18-12-7-13-27-21(18)20-15-33-25(29-20)17-10-5-2-6-11-17/h1-13,15,19H,14H2,(H2,26,31)(H,28,32)
InChIKeyKVZXGPSAXRYQRQ-UHFFFAOYSA-N
XLogP2.80
TPSA128.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-phenyl-1,3-oxazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-phenyl-1,3-oxazol-4-yl)pyridine-3-carboxamide (CID 46870679) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-phenyl-1,3-oxazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-phenyl-1,3-oxazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-phenyl-1,3-oxazol-4-yl)pyridine-3-carboxamide is NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-c1coc(-c2ccccc2)n1.
What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-phenyl-1,3-oxazol-4-yl)pyridine-3-carboxamide?
The InChIKey is KVZXGPSAXRYQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O4/c26-23(31)22(30)19(14-16-8-3-1-4-9-16)28-24(32)18-12-7-13-27-21(18)20-15-33-25(29-20)17-10-5-2-6-11-17/h1-13,15,19H,14H2,(H2,26,31)(H,28,32).
What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-phenyl-1,3-oxazol-4-yl)pyridine-3-carboxamide?
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-phenyl-1,3-oxazol-4-yl)pyridine-3-carboxamide has a molecular weight of 440.46 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-phenyl-1,3-oxazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 46870679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).