(2R,3S)-2-ethyl-N-(3-fluoro-4-pyridinyl)oxane-3-carboxamide

C13H17FN2O2 — CID 129479503

IUPAC(2R,3S)-2-ethyl-N-(3-fluoro-4-pyridinyl)oxane-3-carboxamide
SMILESCC[C@H]1OCCC[C@@H]1C(=O)Nc1ccncc1F
InChIInChI=1S/C13H17FN2O2/c1-2-12-9(4-3-7-18-12)13(17)16-11-5-6-15-8-10(11)14/h5-6,8-9,12H,2-4,7H2,1H3,(H,15,16,17)/t9-,12+/m0/s1
InChIKeyXLHFPKADUBRMMC-JOYOIKCWSA-N
MW252.29 g/mol
LogP2.36
Rot. Bonds3

About (2R,3S)-2-ethyl-N-(3-fluoro-4-pyridinyl)oxane-3-carboxamide

(2R,3S)-2-ethyl-N-(3-fluoro-4-pyridinyl)oxane-3-carboxamide (PubChem CID 129479503) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is (2R,3S)-2-ethyl-N-(3-fluoro-4-pyridinyl)oxane-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-ethyl-N-(3-fluoro-4-pyridinyl)oxane-3-carboxamide
PubChem CID129479503
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name(2R,3S)-2-ethyl-N-(3-fluoro-4-pyridinyl)oxane-3-carboxamide
SMILESCC[C@H]1OCCC[C@@H]1C(=O)Nc1ccncc1F
InChIInChI=1S/C13H17FN2O2/c1-2-12-9(4-3-7-18-12)13(17)16-11-5-6-15-8-10(11)14/h5-6,8-9,12H,2-4,7H2,1H3,(H,15,16,17)/t9-,12+/m0/s1
InChIKeyXLHFPKADUBRMMC-JOYOIKCWSA-N
XLogP2.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-2-ethyl-N-(4-methoxy-3-pyridinyl)oxane-3-carboxamide
CID 129479124
N-(3-ethyl-4-pyridinyl)-2-propan-2-yloxane-3-carboxamide
CID 129001486
1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(3-fluoro-4-pyridinyl)urea
CID 128993229
N-(3-fluoro-4-pyridinyl)-4-(propylamino)oxolane-3-carboxamide
CID 107594898
(2S,3S)-N-(2-cyano-4-ethylphenyl)-2-ethyloxane-3-carboxamide
CID 125419464
(2R,3R)-2-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)oxane-3-carboxamide
CID 129479241
N-(3-fluoro-4-pyridinyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 107595584
ethyl 2-[(3-fluoro-4-pyridinyl)amino]-2-oxoacetate
CID 107595257
1-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-(3-fluoro-4-pyridinyl)urea
CID 128999282
N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide
CID 103886195
2-ethyl-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]oxane-3-carboxamide
CID 129002863
2-ethyl-N-(3-hydroxyphenyl)oxolane-3-carboxamide
CID 114104197

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-ethyl-N-(3-fluoro-4-pyridinyl)oxane-3-carboxamide?
The IUPAC name of (2R,3S)-2-ethyl-N-(3-fluoro-4-pyridinyl)oxane-3-carboxamide (CID 129479503) is (2R,3S)-2-ethyl-N-(3-fluoro-4-pyridinyl)oxane-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-ethyl-N-(3-fluoro-4-pyridinyl)oxane-3-carboxamide?
The canonical SMILES for (2R,3S)-2-ethyl-N-(3-fluoro-4-pyridinyl)oxane-3-carboxamide is CC[C@H]1OCCC[C@@H]1C(=O)Nc1ccncc1F.
What is the InChIKey of (2R,3S)-2-ethyl-N-(3-fluoro-4-pyridinyl)oxane-3-carboxamide?
The InChIKey is XLHFPKADUBRMMC-JOYOIKCWSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-2-12-9(4-3-7-18-12)13(17)16-11-5-6-15-8-10(11)14/h5-6,8-9,12H,2-4,7H2,1H3,(H,15,16,17)/t9-,12+/m0/s1.
What are the key properties of (2R,3S)-2-ethyl-N-(3-fluoro-4-pyridinyl)oxane-3-carboxamide?
(2R,3S)-2-ethyl-N-(3-fluoro-4-pyridinyl)oxane-3-carboxamide has a molecular weight of 252.29 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-ethyl-N-(3-fluoro-4-pyridinyl)oxane-3-carboxamide is sourced from PubChem (CID 129479503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).