N-(3,5-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide

C25H25N3O3 — CID 22553176

IUPACN-(3,5-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide
SMILESCc1cc(C)cc(NC(=O)CCCN2C(=O)C(c3ccccc3)Oc3cccnc32)c1
InChIInChI=1S/C25H25N3O3/c1-17-14-18(2)16-20(15-17)27-22(29)11-7-13-28-24-21(10-6-12-26-24)31-23(25(28)30)19-8-4-3-5-9-19/h3-6,8-10,12,14-16,23H,7,11,13H2,1-2H3,(H,27,29)
InChIKeyBSXRFSUDVOFZMV-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.58
Rot. Bonds6

About N-(3,5-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide

N-(3,5-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide (PubChem CID 22553176) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide
PubChem CID22553176
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-(3,5-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide
SMILESCc1cc(C)cc(NC(=O)CCCN2C(=O)C(c3ccccc3)Oc3cccnc32)c1
InChIInChI=1S/C25H25N3O3/c1-17-14-18(2)16-20(15-17)27-22(29)11-7-13-28-24-21(10-6-12-26-24)31-23(25(28)30)19-8-4-3-5-9-19/h3-6,8-10,12,14-16,23H,7,11,13H2,1-2H3,(H,27,29)
InChIKeyBSXRFSUDVOFZMV-UHFFFAOYSA-N
XLogP4.58
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide (CID 22553176) is N-(3,5-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide is Cc1cc(C)cc(NC(=O)CCCN2C(=O)C(c3ccccc3)Oc3cccnc32)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide?
The InChIKey is BSXRFSUDVOFZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-17-14-18(2)16-20(15-17)27-22(29)11-7-13-28-24-21(10-6-12-26-24)31-23(25(28)30)19-8-4-3-5-9-19/h3-6,8-10,12,14-16,23H,7,11,13H2,1-2H3,(H,27,29).
What are the key properties of N-(3,5-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide?
N-(3,5-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide has a molecular weight of 415.49 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide is sourced from PubChem (CID 22553176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).