N-[(3R,4S,5S,6R)-6-[(2,4-dioxopyrimidin-1-yl)methyl]-4,5-dihydroxyoxan-3-yl]-2-pyridin-4-ylacetamide

C17H20N4O6 — CID 133065321

IUPACN-[(3R,4S,5S,6R)-6-[(2,4-dioxopyrimidin-1-yl)methyl]-4,5-dihydroxyoxan-3-yl]-2-pyridin-4-ylacetamide
SMILESO=C(Cc1ccncc1)N[C@@H]1CO[C@H](Cn2ccc(=O)[nH]c2=O)[C@@H](O)[C@H]1O
InChIInChI=1S/C17H20N4O6/c22-13-3-6-21(17(26)20-13)8-12-16(25)15(24)11(9-27-12)19-14(23)7-10-1-4-18-5-2-10/h1-6,11-12,15-16,24-25H,7-9H2,(H,19,23)(H,20,22,26)/t11-,12-,15+,16-/m1/s1
InChIKeyXLSRYVMGPJRUFO-AVRGHOLYSA-N
MW376.37 g/mol
LogP-2.22
Rot. Bonds5

About N-[(3R,4S,5S,6R)-6-[(2,4-dioxopyrimidin-1-yl)methyl]-4,5-dihydroxyoxan-3-yl]-2-pyridin-4-ylacetamide

N-[(3R,4S,5S,6R)-6-[(2,4-dioxopyrimidin-1-yl)methyl]-4,5-dihydroxyoxan-3-yl]-2-pyridin-4-ylacetamide (PubChem CID 133065321) has the molecular formula C17H20N4O6 and a molecular weight of 376.37 g/mol. Its IUPAC name is N-[(3R,4S,5S,6R)-6-[(2,4-dioxopyrimidin-1-yl)methyl]-4,5-dihydroxyoxan-3-yl]-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-[(3R,4S,5S,6R)-6-[(2,4-dioxopyrimidin-1-yl)methyl]-4,5-dihydroxyoxan-3-yl]-2-pyridin-4-ylacetamide
PubChem CID133065321
Molecular FormulaC17H20N4O6
Molecular Weight376.37 g/mol
Exact Mass376.14
IUPAC NameN-[(3R,4S,5S,6R)-6-[(2,4-dioxopyrimidin-1-yl)methyl]-4,5-dihydroxyoxan-3-yl]-2-pyridin-4-ylacetamide
SMILESO=C(Cc1ccncc1)N[C@@H]1CO[C@H](Cn2ccc(=O)[nH]c2=O)[C@@H](O)[C@H]1O
InChIInChI=1S/C17H20N4O6/c22-13-3-6-21(17(26)20-13)8-12-16(25)15(24)11(9-27-12)19-14(23)7-10-1-4-18-5-2-10/h1-6,11-12,15-16,24-25H,7-9H2,(H,19,23)(H,20,22,26)/t11-,12-,15+,16-/m1/s1
InChIKeyXLSRYVMGPJRUFO-AVRGHOLYSA-N
XLogP-2.22
TPSA146.54 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 5-2.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S,5S,6R)-6-[(2,4-dioxopyrimidin-1-yl)methyl]-4,5-dihydroxyoxan-3-yl]-2-pyridin-4-ylacetamide?
The IUPAC name of N-[(3R,4S,5S,6R)-6-[(2,4-dioxopyrimidin-1-yl)methyl]-4,5-dihydroxyoxan-3-yl]-2-pyridin-4-ylacetamide (CID 133065321) is N-[(3R,4S,5S,6R)-6-[(2,4-dioxopyrimidin-1-yl)methyl]-4,5-dihydroxyoxan-3-yl]-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-[(3R,4S,5S,6R)-6-[(2,4-dioxopyrimidin-1-yl)methyl]-4,5-dihydroxyoxan-3-yl]-2-pyridin-4-ylacetamide?
The canonical SMILES for N-[(3R,4S,5S,6R)-6-[(2,4-dioxopyrimidin-1-yl)methyl]-4,5-dihydroxyoxan-3-yl]-2-pyridin-4-ylacetamide is O=C(Cc1ccncc1)N[C@@H]1CO[C@H](Cn2ccc(=O)[nH]c2=O)[C@@H](O)[C@H]1O.
What is the InChIKey of N-[(3R,4S,5S,6R)-6-[(2,4-dioxopyrimidin-1-yl)methyl]-4,5-dihydroxyoxan-3-yl]-2-pyridin-4-ylacetamide?
The InChIKey is XLSRYVMGPJRUFO-AVRGHOLYSA-N. The full InChI is InChI=1S/C17H20N4O6/c22-13-3-6-21(17(26)20-13)8-12-16(25)15(24)11(9-27-12)19-14(23)7-10-1-4-18-5-2-10/h1-6,11-12,15-16,24-25H,7-9H2,(H,19,23)(H,20,22,26)/t11-,12-,15+,16-/m1/s1.
What are the key properties of N-[(3R,4S,5S,6R)-6-[(2,4-dioxopyrimidin-1-yl)methyl]-4,5-dihydroxyoxan-3-yl]-2-pyridin-4-ylacetamide?
N-[(3R,4S,5S,6R)-6-[(2,4-dioxopyrimidin-1-yl)methyl]-4,5-dihydroxyoxan-3-yl]-2-pyridin-4-ylacetamide has a molecular weight of 376.37 g/mol, XLogP of -2.22, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S,5S,6R)-6-[(2,4-dioxopyrimidin-1-yl)methyl]-4,5-dihydroxyoxan-3-yl]-2-pyridin-4-ylacetamide is sourced from PubChem (CID 133065321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).