N-(2,6-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide

C25H25N3O3 — CID 22553153

IUPACN-(2,6-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide
SMILESCc1cccc(C)c1NC(=O)CCCN1C(=O)C(c2ccccc2)Oc2cccnc21
InChIInChI=1S/C25H25N3O3/c1-17-9-6-10-18(2)22(17)27-21(29)14-8-16-28-24-20(13-7-15-26-24)31-23(25(28)30)19-11-4-3-5-12-19/h3-7,9-13,15,23H,8,14,16H2,1-2H3,(H,27,29)
InChIKeyCYFSYSXRTLFENP-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.58
Rot. Bonds6

About N-(2,6-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide

N-(2,6-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide (PubChem CID 22553153) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide
PubChem CID22553153
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-(2,6-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide
SMILESCc1cccc(C)c1NC(=O)CCCN1C(=O)C(c2ccccc2)Oc2cccnc21
InChIInChI=1S/C25H25N3O3/c1-17-9-6-10-18(2)22(17)27-21(29)14-8-16-28-24-20(13-7-15-26-24)31-23(25(28)30)19-11-4-3-5-12-19/h3-7,9-13,15,23H,8,14,16H2,1-2H3,(H,27,29)
InChIKeyCYFSYSXRTLFENP-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

Analyze N-(2,6-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide (CID 22553153) is N-(2,6-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide is Cc1cccc(C)c1NC(=O)CCCN1C(=O)C(c2ccccc2)Oc2cccnc21.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide?
The InChIKey is CYFSYSXRTLFENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-17-9-6-10-18(2)22(17)27-21(29)14-8-16-28-24-20(13-7-15-26-24)31-23(25(28)30)19-11-4-3-5-12-19/h3-7,9-13,15,23H,8,14,16H2,1-2H3,(H,27,29).
What are the key properties of N-(2,6-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide?
N-(2,6-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-(2,6-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide is sourced from PubChem (CID 22553153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).