2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoro-2-oxo-4-pyridinyl]acetamide

C12H15FN2O6 — CID 42638109

IUPAC2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoro-2-oxo-4-pyridinyl]acetamide
SMILESNC(=O)Cc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)c1F
InChIInChI=1S/C12H15FN2O6/c13-8-5(3-7(14)17)1-2-15(11(8)20)12-10(19)9(18)6(4-16)21-12/h1-2,6,9-10,12,16,18-19H,3-4H2,(H2,14,17)/t6-,9-,10-,12-/m1/s1
InChIKeyLZUNZKKIEPFTQF-XYHAGOFUSA-N
MW302.26 g/mol
LogP-2.37
Rot. Bonds4

About 2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoro-2-oxo-4-pyridinyl]acetamide

2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoro-2-oxo-4-pyridinyl]acetamide (PubChem CID 42638109) has the molecular formula C12H15FN2O6 and a molecular weight of 302.26 g/mol. Its IUPAC name is 2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoro-2-oxo-4-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoro-2-oxo-4-pyridinyl]acetamide
PubChem CID42638109
Molecular FormulaC12H15FN2O6
Molecular Weight302.26 g/mol
Exact Mass302.09
IUPAC Name2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoro-2-oxo-4-pyridinyl]acetamide
SMILESNC(=O)Cc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)c1F
InChIInChI=1S/C12H15FN2O6/c13-8-5(3-7(14)17)1-2-15(11(8)20)12-10(19)9(18)6(4-16)21-12/h1-2,6,9-10,12,16,18-19H,3-4H2,(H2,14,17)/t6-,9-,10-,12-/m1/s1
InChIKeyLZUNZKKIEPFTQF-XYHAGOFUSA-N
XLogP-2.37
TPSA135.01 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 5-2.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrole-3-carboxamide
CID 46873893
4-amino-1-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 3013211
4-amino-1-[(4S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 71230474
4-(15N)azanyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 10586353
1-[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxypyridin-2-one
CID 54697114
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]pyrimidine-2,4-dione
CID 76973315
1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl](2,4,5,6-13C4)pyrimidine-2,4-dione
CID 171037880
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 6029
1-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 638039
5-fluoro-1,3-bis[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione
CID 22814532
2-[1-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazol-3-yl]acetamide
CID 139901304
4-amino-1-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride
CID 23615336

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoro-2-oxo-4-pyridinyl]acetamide?
The IUPAC name of 2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoro-2-oxo-4-pyridinyl]acetamide (CID 42638109) is 2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoro-2-oxo-4-pyridinyl]acetamide.
What is the SMILES notation for 2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoro-2-oxo-4-pyridinyl]acetamide?
The canonical SMILES for 2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoro-2-oxo-4-pyridinyl]acetamide is NC(=O)Cc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)c1F.
What is the InChIKey of 2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoro-2-oxo-4-pyridinyl]acetamide?
The InChIKey is LZUNZKKIEPFTQF-XYHAGOFUSA-N. The full InChI is InChI=1S/C12H15FN2O6/c13-8-5(3-7(14)17)1-2-15(11(8)20)12-10(19)9(18)6(4-16)21-12/h1-2,6,9-10,12,16,18-19H,3-4H2,(H2,14,17)/t6-,9-,10-,12-/m1/s1.
What are the key properties of 2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoro-2-oxo-4-pyridinyl]acetamide?
2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoro-2-oxo-4-pyridinyl]acetamide has a molecular weight of 302.26 g/mol, XLogP of -2.37, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoro-2-oxo-4-pyridinyl]acetamide is sourced from PubChem (CID 42638109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).