N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]benzamide

C17H19N3O5 — CID 5272851

IUPACN-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]benzamide
SMILESCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)c3ccccc3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C17H19N3O5/c1-10-9-20(17(24)19-15(10)22)14-7-12(21)13(25-14)8-18-16(23)11-5-3-2-4-6-11/h2-6,9,12-14,21H,7-8H2,1H3,(H,18,23)(H,19,22,24)/t12-,13+,14+/m0/s1
InChIKeyTVLXILQUDKDOIC-BFHYXJOUSA-N
MW345.36 g/mol
LogP-0.08
Rot. Bonds4

About N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]benzamide

N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]benzamide (PubChem CID 5272851) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]benzamide
PubChem CID5272851
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC NameN-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]benzamide
SMILESCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)c3ccccc3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C17H19N3O5/c1-10-9-20(17(24)19-15(10)22)14-7-12(21)13(25-14)8-18-16(23)11-5-3-2-4-6-11/h2-6,9,12-14,21H,7-8H2,1H3,(H,18,23)(H,19,22,24)/t12-,13+,14+/m0/s1
InChIKeyTVLXILQUDKDOIC-BFHYXJOUSA-N
XLogP-0.08
TPSA113.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]benzamide?
The IUPAC name of N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]benzamide (CID 5272851) is N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]benzamide?
The canonical SMILES for N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]benzamide is Cc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)c3ccccc3)O2)c(=O)[nH]c1=O.
What is the InChIKey of N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]benzamide?
The InChIKey is TVLXILQUDKDOIC-BFHYXJOUSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-10-9-20(17(24)19-15(10)22)14-7-12(21)13(25-14)8-18-16(23)11-5-3-2-4-6-11/h2-6,9,12-14,21H,7-8H2,1H3,(H,18,23)(H,19,22,24)/t12-,13+,14+/m0/s1.
What are the key properties of N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]benzamide?
N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]benzamide has a molecular weight of 345.36 g/mol, XLogP of -0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 5272851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).