N-[1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methoxybenzamide

C17H19N3O7 — CID 7272015

IUPACN-[1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccn([C@@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c(=O)n2)cc1
InChIInChI=1S/C17H19N3O7/c1-26-10-4-2-9(3-5-10)15(24)18-12-6-7-20(17(25)19-12)16-14(23)13(22)11(8-21)27-16/h2-7,11,13-14,16,21-23H,8H2,1H3,(H,18,19,24,25)/t11-,13+,14+,16+/m0/s1
InChIKeyUAHIASPEJUIQKN-ADSMDIBLSA-N
MW377.35 g/mol
LogP-0.88
Rot. Bonds5

About N-[1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methoxybenzamide

N-[1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methoxybenzamide (PubChem CID 7272015) has the molecular formula C17H19N3O7 and a molecular weight of 377.35 g/mol. Its IUPAC name is N-[1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methoxybenzamide
PubChem CID7272015
Molecular FormulaC17H19N3O7
Molecular Weight377.35 g/mol
Exact Mass377.12
IUPAC NameN-[1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccn([C@@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c(=O)n2)cc1
InChIInChI=1S/C17H19N3O7/c1-26-10-4-2-9(3-5-10)15(24)18-12-6-7-20(17(25)19-12)16-14(23)13(22)11(8-21)27-16/h2-7,11,13-14,16,21-23H,8H2,1H3,(H,18,19,24,25)/t11-,13+,14+,16+/m0/s1
InChIKeyUAHIASPEJUIQKN-ADSMDIBLSA-N
XLogP-0.88
TPSA143.14 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 5-0.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

N-[1-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methylbenzamide
CID 7291906
N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 13161410
N-[2-oxo-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxy(113C)methyl)(2,3,4,5,6-13C5)oxan-2-yl](613C,1,3-15N2)pyrimidin-4-yl](15N)benzamide
CID 10271516
N-[1-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4,5-trimethoxybenzamide
CID 51704357
N-[1-[3-[1-(2-chloroethoxy)ethoxy]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methoxybenzamide
CID 71342205
N-[1-[(2S,3S,4R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 11093511
2-deuterio-N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 141376225
N-[1-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-methoxypyridine-3-carboxamide
CID 150568808
N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-(morpholin-4-ylmethyl)benzamide
CID 15755632
N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-hydroxybenzamide
CID 53389701
N-[1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-propoxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 22874774
N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[(R)-(3-methoxyphenyl)-(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 99650118

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methoxybenzamide?
The IUPAC name of N-[1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methoxybenzamide (CID 7272015) is N-[1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methoxybenzamide?
The canonical SMILES for N-[1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccn([C@@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c(=O)n2)cc1.
What is the InChIKey of N-[1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methoxybenzamide?
The InChIKey is UAHIASPEJUIQKN-ADSMDIBLSA-N. The full InChI is InChI=1S/C17H19N3O7/c1-26-10-4-2-9(3-5-10)15(24)18-12-6-7-20(17(25)19-12)16-14(23)13(22)11(8-21)27-16/h2-7,11,13-14,16,21-23H,8H2,1H3,(H,18,19,24,25)/t11-,13+,14+,16+/m0/s1.
What are the key properties of N-[1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methoxybenzamide?
N-[1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methoxybenzamide has a molecular weight of 377.35 g/mol, XLogP of -0.88, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methoxybenzamide is sourced from PubChem (CID 7272015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).