(2S)-N-ethyl-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-6-carboxamide

C18H20FN3O2 — CID 167526455

IUPAC(2S)-N-ethyl-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-6-carboxamide
SMILESCCNC(=O)c1nc2c(cc1Cc1ccc(F)cc1)N[C@@H](C)CO2
InChIInChI=1S/C18H20FN3O2/c1-3-20-17(23)16-13(8-12-4-6-14(19)7-5-12)9-15-18(22-16)24-10-11(2)21-15/h4-7,9,11,21H,3,8,10H2,1-2H3,(H,20,23)/t11-/m0/s1
InChIKeyNAOQQAMWTFXWRE-NSHDSACASA-N
MW329.38 g/mol
LogP2.75
Rot. Bonds4

About (2S)-N-ethyl-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-6-carboxamide

(2S)-N-ethyl-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-6-carboxamide (PubChem CID 167526455) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is (2S)-N-ethyl-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-6-carboxamide.

Molecular Properties

Compound Name(2S)-N-ethyl-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-6-carboxamide
PubChem CID167526455
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name(2S)-N-ethyl-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-6-carboxamide
SMILESCCNC(=O)c1nc2c(cc1Cc1ccc(F)cc1)N[C@@H](C)CO2
InChIInChI=1S/C18H20FN3O2/c1-3-20-17(23)16-13(8-12-4-6-14(19)7-5-12)9-15-18(22-16)24-10-11(2)21-15/h4-7,9,11,21H,3,8,10H2,1-2H3,(H,20,23)/t11-/m0/s1
InChIKeyNAOQQAMWTFXWRE-NSHDSACASA-N
XLogP2.75
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-ethyl-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-6-carboxamide with MolForge

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Related Compounds

(2S)-7-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-6-carboxamide
CID 167526990
[(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone
CID 167526882
[(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]methanol
CID 175915910
[(2S)-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl] N-tert-butylcarbamate
CID 175410882
[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-[7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]methanone
CID 174053451
[(2S)-7-[(2,4-difluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]methyl acetate
CID 167526641
tert-butyl-[2-[[7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-yl]oxy]ethoxy]-dimethylsilane
CID 174053139
tert-butyl (2S)-7-[(4-fluorophenyl)methyl]-6-[2-(2-methoxyethoxy)ethylcarbamoyl]-2-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
CID 167526483
benzyl (2S)-7-[(4-fluorophenyl)methyl]-2-methyl-6-[(1-methylpiperidin-4-yl)methylcarbamoyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
CID 167526449
benzyl (2S)-7-[(4-fluorophenyl)methyl]-2-methyl-6-[[(3S)-oxolan-3-yl]carbamoyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
CID 167526474
2-chloro-1-[(2S)-7-[(4-fluorophenyl)methyl]-6-[(3S)-3-fluoropyrrolidine-1-carbonyl]-2-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]ethanone
CID 167526754
N-ethyl-5-fluoro-2-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 174518381

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-6-carboxamide?
The IUPAC name of (2S)-N-ethyl-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-6-carboxamide (CID 167526455) is (2S)-N-ethyl-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-6-carboxamide.
What is the SMILES notation for (2S)-N-ethyl-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-6-carboxamide?
The canonical SMILES for (2S)-N-ethyl-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-6-carboxamide is CCNC(=O)c1nc2c(cc1Cc1ccc(F)cc1)N[C@@H](C)CO2.
What is the InChIKey of (2S)-N-ethyl-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-6-carboxamide?
The InChIKey is NAOQQAMWTFXWRE-NSHDSACASA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-3-20-17(23)16-13(8-12-4-6-14(19)7-5-12)9-15-18(22-16)24-10-11(2)21-15/h4-7,9,11,21H,3,8,10H2,1-2H3,(H,20,23)/t11-/m0/s1.
What are the key properties of (2S)-N-ethyl-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-6-carboxamide?
(2S)-N-ethyl-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-6-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-6-carboxamide is sourced from PubChem (CID 167526455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).