2-[2-amino-1-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(3-oxo-1,2-oxazolidin-4-yl)-3,4-dihydro-2H-pyran-6-carboxamide

C20H25N5O13 — CID 123387125

IUPAC2-[2-amino-1-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(3-oxo-1,2-oxazolidin-4-yl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCOC1C(O)C(n2ccc(=O)[nH]c2=O)OC1C(OC1OC(C(=O)NC2CONC2=O)=CC(O)C1O)C(N)=O
InChIInChI=1S/C20H25N5O13/c1-34-12-11(29)18(25-3-2-9(27)23-20(25)33)37-13(12)14(15(21)30)38-19-10(28)7(26)4-8(36-19)17(32)22-6-5-35-24-16(6)31/h2-4,6-7,10-14,18-19,26,28-29H,5H2,1H3,(H2,21,30)(H,22,32)(H,24,31)(H,23,27,33)
InChIKeyAPDZRWXCOYSCFB-UHFFFAOYSA-N
MW543.44 g/mol
LogP-5.81
Rot. Bonds8

About 2-[2-amino-1-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(3-oxo-1,2-oxazolidin-4-yl)-3,4-dihydro-2H-pyran-6-carboxamide

2-[2-amino-1-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(3-oxo-1,2-oxazolidin-4-yl)-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 123387125) has the molecular formula C20H25N5O13 and a molecular weight of 543.44 g/mol. Its IUPAC name is 2-[2-amino-1-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(3-oxo-1,2-oxazolidin-4-yl)-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name2-[2-amino-1-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(3-oxo-1,2-oxazolidin-4-yl)-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID123387125
Molecular FormulaC20H25N5O13
Molecular Weight543.44 g/mol
Exact Mass543.14
IUPAC Name2-[2-amino-1-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(3-oxo-1,2-oxazolidin-4-yl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCOC1C(O)C(n2ccc(=O)[nH]c2=O)OC1C(OC1OC(C(=O)NC2CONC2=O)=CC(O)C1O)C(N)=O
InChIInChI=1S/C20H25N5O13/c1-34-12-11(29)18(25-3-2-9(27)23-20(25)33)37-13(12)14(15(21)30)38-19-10(28)7(26)4-8(36-19)17(32)22-6-5-35-24-16(6)31/h2-4,6-7,10-14,18-19,26,28-29H,5H2,1H3,(H2,21,30)(H,22,32)(H,24,31)(H,23,27,33)
InChIKeyAPDZRWXCOYSCFB-UHFFFAOYSA-N
XLogP-5.81
TPSA262.99 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500543.44
LogP ≤ 5-5.81
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

Analyze 2-[2-amino-1-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(3-oxo-1,2-oxazolidin-4-yl)-3,4-dihydro-2H-pyran-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-amino-1-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(3-oxo-1,2-oxazolidin-4-yl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 123758439
(2S,3S,4S)-2-[(1R)-2-amino-1-[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-[(3S)-2-oxoazepan-3-yl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 162961135
(2R,3R,4R)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-nonyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 171350923
(2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-N-dodecyl-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide
CID 513527
(2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-N-(4-ethylphenyl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide
CID 513562
(2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-N-(3-fluoro-4-methylphenyl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide
CID 58777280
2-[2-amino-1-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dimethoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(1-hydroxy-2-oxoazepan-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 123352312
(2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-N-(4-fluoro-3-methylphenyl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide
CID 58777268
cyclohexyl (2S,3S,4S)-2-[(1R)-2-amino-1-[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylate
CID 71211515
(2S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-N-(3-ethylphenyl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide
CID 142045500
(2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-[2-(2-methoxyphenyl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 513531
2-[1-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-(methylamino)-2-oxoethoxy]-3,4-dihydroxy-N-(7-methyl-2-oxoazepan-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 22890385

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-1-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(3-oxo-1,2-oxazolidin-4-yl)-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of 2-[2-amino-1-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(3-oxo-1,2-oxazolidin-4-yl)-3,4-dihydro-2H-pyran-6-carboxamide (CID 123387125) is 2-[2-amino-1-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(3-oxo-1,2-oxazolidin-4-yl)-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for 2-[2-amino-1-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(3-oxo-1,2-oxazolidin-4-yl)-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for 2-[2-amino-1-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(3-oxo-1,2-oxazolidin-4-yl)-3,4-dihydro-2H-pyran-6-carboxamide is COC1C(O)C(n2ccc(=O)[nH]c2=O)OC1C(OC1OC(C(=O)NC2CONC2=O)=CC(O)C1O)C(N)=O.
What is the InChIKey of 2-[2-amino-1-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(3-oxo-1,2-oxazolidin-4-yl)-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is APDZRWXCOYSCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O13/c1-34-12-11(29)18(25-3-2-9(27)23-20(25)33)37-13(12)14(15(21)30)38-19-10(28)7(26)4-8(36-19)17(32)22-6-5-35-24-16(6)31/h2-4,6-7,10-14,18-19,26,28-29H,5H2,1H3,(H2,21,30)(H,22,32)(H,24,31)(H,23,27,33).
What are the key properties of 2-[2-amino-1-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(3-oxo-1,2-oxazolidin-4-yl)-3,4-dihydro-2H-pyran-6-carboxamide?
2-[2-amino-1-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(3-oxo-1,2-oxazolidin-4-yl)-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 543.44 g/mol, XLogP of -5.81, 8 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-1-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(3-oxo-1,2-oxazolidin-4-yl)-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 123387125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).