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

C25H25N3O3 — CID 22553172

IUPACN-(3,4-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide
SMILESCc1ccc(NC(=O)CCCN2C(=O)C(c3ccccc3)Oc3cccnc32)cc1C
InChIInChI=1S/C25H25N3O3/c1-17-12-13-20(16-18(17)2)27-22(29)11-7-15-28-24-21(10-6-14-26-24)31-23(25(28)30)19-8-4-3-5-9-19/h3-6,8-10,12-14,16,23H,7,11,15H2,1-2H3,(H,27,29)
InChIKeyZERSCDBBSXUXSE-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.58
Rot. Bonds6

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

N-(3,4-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide (PubChem CID 22553172) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide
PubChem CID22553172
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-(3,4-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide
SMILESCc1ccc(NC(=O)CCCN2C(=O)C(c3ccccc3)Oc3cccnc32)cc1C
InChIInChI=1S/C25H25N3O3/c1-17-12-13-20(16-18(17)2)27-22(29)11-7-15-28-24-21(10-6-14-26-24)31-23(25(28)30)19-8-4-3-5-9-19/h3-6,8-10,12-14,16,23H,7,11,15H2,1-2H3,(H,27,29)
InChIKeyZERSCDBBSXUXSE-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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Related Compounds

3-[3-(Benzyloxy)pyridin-2-yl]-1-phenylurea
CID 3663276
6-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one
CID 10023176
4-[3-(3-Benzyloxy-pyridin-2-yl)-ureido]-benzamide
CID 11574097
3-[3-(3-Benzyloxy-pyridin-2-yl)-ureido]-benzamide
CID 11639129
N-(3-methyl-2-pyridinyl)-9H-xanthene-9-carboxamide
CID 1221732
7-[(2R,5R)-5-(2-fluorophenyl)-2-methylmorpholin-4-yl]-1H-pyrido[3,4-b][1,4]oxazin-2-one
CID 54590901
6-((2R,5R)-2-methyl-5-phenylmorpholino)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 54592009
6-[(2R,5R)-5-(4-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 54592010
(R)-6-(2,2-dimethyl-5-phenylmorpholino)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 54592011
7-((2R,5R)-2-methyl-5-phenylmorpholino)-1H-pyrido[3,4-b][1,4]oxazin-2(3H)-one
CID 54592088
6-[(2R,5R)-5-(2-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 54592090
6-[(2R,5R)-5-(3-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 54592092

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide (CID 22553172) is N-(3,4-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide is Cc1ccc(NC(=O)CCCN2C(=O)C(c3ccccc3)Oc3cccnc32)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide?
The InChIKey is ZERSCDBBSXUXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-17-12-13-20(16-18(17)2)27-22(29)11-7-15-28-24-21(10-6-14-26-24)31-23(25(28)30)19-8-4-3-5-9-19/h3-6,8-10,12-14,16,23H,7,11,15H2,1-2H3,(H,27,29).
What are the key properties of N-(3,4-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide?
N-(3,4-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-(3,4-dimethylphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide is sourced from PubChem (CID 22553172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).