N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide

C17H23N3O4 — CID 154759117

IUPACN-(2,2-dimethyloxan-4-yl)-N-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide
SMILESCCN(C(=O)c1cnc2c(c1)NC(=O)CO2)C1CCOC(C)(C)C1
InChIInChI=1S/C17H23N3O4/c1-4-20(12-5-6-24-17(2,3)8-12)16(22)11-7-13-15(18-9-11)23-10-14(21)19-13/h7,9,12H,4-6,8,10H2,1-3H3,(H,19,21)
InChIKeyWZJIDQNPTOXNOF-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.83
Rot. Bonds3

About N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide

N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide (PubChem CID 154759117) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-N-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide
PubChem CID154759117
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC NameN-(2,2-dimethyloxan-4-yl)-N-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide
SMILESCCN(C(=O)c1cnc2c(c1)NC(=O)CO2)C1CCOC(C)(C)C1
InChIInChI=1S/C17H23N3O4/c1-4-20(12-5-6-24-17(2,3)8-12)16(22)11-7-13-15(18-9-11)23-10-14(21)19-13/h7,9,12H,4-6,8,10H2,1-3H3,(H,19,21)
InChIKeyWZJIDQNPTOXNOF-UHFFFAOYSA-N
XLogP1.83
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide with MolForge

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Related Compounds

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CID 97149283
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CID 95128544
N-(2,2-dimethyloxan-4-yl)-N-ethyl-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 70725369
N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 136696811
N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 97147169
3-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-oxo-1H-benzimidazole-5-carboxamide
CID 154742386
N-[(4S)-2,2-dimethyloxan-4-yl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethylbenzamide
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CID 95728897
N-(2,2-dimethyloxan-4-yl)-N-ethyl-4-(propylsulfamoyl)benzamide
CID 135119424
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763777
N-(cyclohexyl-methyl-oxo-λ6-sulfanylidene)-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide
CID 166255636
trans-(1S,2S)-2-methyl-N-[[(1R,5S)-8-(2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]cyclopropane-1-carboxamide
CID 138048584

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide (CID 154759117) is N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide is CCN(C(=O)c1cnc2c(c1)NC(=O)CO2)C1CCOC(C)(C)C1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide?
The InChIKey is WZJIDQNPTOXNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-4-20(12-5-6-24-17(2,3)8-12)16(22)11-7-13-15(18-9-11)23-10-14(21)19-13/h7,9,12H,4-6,8,10H2,1-3H3,(H,19,21).
What are the key properties of N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide?
N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide is sourced from PubChem (CID 154759117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).