N-(cyclohexyl-methyl-oxo-λ6-sulfanylidene)-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide

C15H19N3O4S — CID 166255636

IUPACN-(cyclohexyl-methyl-oxo-λ6-sulfanylidene)-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide
SMILESCS(=O)(=NC(=O)c1cnc2c(c1)NC(=O)CO2)C1CCCCC1
InChIInChI=1S/C15H19N3O4S/c1-23(21,11-5-3-2-4-6-11)18-14(20)10-7-12-15(16-8-10)22-9-13(19)17-12/h7-8,11H,2-6,9H2,1H3,(H,17,19)
InChIKeyFPPCFPIRCGHLLL-UHFFFAOYSA-N
MW337.40 g/mol
LogP1.98
Rot. Bonds2

About N-(cyclohexyl-methyl-oxo-λ6-sulfanylidene)-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide

N-(cyclohexyl-methyl-oxo-λ6-sulfanylidene)-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide (PubChem CID 166255636) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-(cyclohexyl-methyl-oxo-λ6-sulfanylidene)-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide.

Molecular Properties

Compound NameN-(cyclohexyl-methyl-oxo-λ6-sulfanylidene)-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide
PubChem CID166255636
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC NameN-(cyclohexyl-methyl-oxo-λ6-sulfanylidene)-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide
SMILESCS(=O)(=NC(=O)c1cnc2c(c1)NC(=O)CO2)C1CCCCC1
InChIInChI=1S/C15H19N3O4S/c1-23(21,11-5-3-2-4-6-11)18-14(20)10-7-12-15(16-8-10)22-9-13(19)17-12/h7-8,11H,2-6,9H2,1H3,(H,17,19)
InChIKeyFPPCFPIRCGHLLL-UHFFFAOYSA-N
XLogP1.98
TPSA97.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(cyclohexyl-methyl-oxo-λ6-sulfanylidene)-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide with MolForge

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Related Compounds

7-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1H-pyrido[2,3-b][1,4]oxazin-2-one
CID 164638523
tert-butyl N-[6-[(2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carbonyl)amino]spiro[3.3]heptan-2-yl]carbamate
CID 171673664
N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide
CID 154759117
7-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-pyrido[2,3-b][1,4]oxazin-2-one
CID 134226578
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
N-cyclooctyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 51101453
2-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide
CID 136519848
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide
CID 136519830
N-[(2R,3S)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxybutan-2-yl]-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide
CID 170379834
6-(2-methylsulfonylpropanoyl)-4H-1,4-benzoxazin-3-one
CID 104518030
N-cyclopentyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 60655442
4-cyano-N-[[1-(cycloheptanecarbonyl)piperidin-4-yl]-methyl-oxo-λ6-sulfanylidene]-3,5-dimethylbenzamide
CID 166433474

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexyl-methyl-oxo-λ6-sulfanylidene)-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide?
The IUPAC name of N-(cyclohexyl-methyl-oxo-λ6-sulfanylidene)-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide (CID 166255636) is N-(cyclohexyl-methyl-oxo-λ6-sulfanylidene)-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide.
What is the SMILES notation for N-(cyclohexyl-methyl-oxo-λ6-sulfanylidene)-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide?
The canonical SMILES for N-(cyclohexyl-methyl-oxo-λ6-sulfanylidene)-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide is CS(=O)(=NC(=O)c1cnc2c(c1)NC(=O)CO2)C1CCCCC1.
What is the InChIKey of N-(cyclohexyl-methyl-oxo-λ6-sulfanylidene)-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide?
The InChIKey is FPPCFPIRCGHLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-23(21,11-5-3-2-4-6-11)18-14(20)10-7-12-15(16-8-10)22-9-13(19)17-12/h7-8,11H,2-6,9H2,1H3,(H,17,19).
What are the key properties of N-(cyclohexyl-methyl-oxo-λ6-sulfanylidene)-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide?
N-(cyclohexyl-methyl-oxo-λ6-sulfanylidene)-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexyl-methyl-oxo-λ6-sulfanylidene)-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide is sourced from PubChem (CID 166255636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).