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

C21H26N4O7 — CID 15755632

IUPACN-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-(morpholin-4-ylmethyl)benzamide
SMILESO=C(Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C21H26N4O7/c26-12-15-17(27)18(28)20(32-15)25-6-5-16(23-21(25)30)22-19(29)14-3-1-13(2-4-14)11-24-7-9-31-10-8-24/h1-6,15,17-18,20,26-28H,7-12H2,(H,22,23,29,30)/t15-,17-,18-,20-/m1/s1
InChIKeyMVXGSSFDFOIMHG-DLVXIWMQSA-N
MW446.46 g/mol
LogP-1.06
Rot. Bonds6

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

N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-(morpholin-4-ylmethyl)benzamide (PubChem CID 15755632) has the molecular formula C21H26N4O7 and a molecular weight of 446.46 g/mol. Its IUPAC name is N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-(morpholin-4-ylmethyl)benzamide
PubChem CID15755632
Molecular FormulaC21H26N4O7
Molecular Weight446.46 g/mol
Exact Mass446.18
IUPAC NameN-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-(morpholin-4-ylmethyl)benzamide
SMILESO=C(Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C21H26N4O7/c26-12-15-17(27)18(28)20(32-15)25-6-5-16(23-21(25)30)22-19(29)14-3-1-13(2-4-14)11-24-7-9-31-10-8-24/h1-6,15,17-18,20,26-28H,7-12H2,(H,22,23,29,30)/t15-,17-,18-,20-/m1/s1
InChIKeyMVXGSSFDFOIMHG-DLVXIWMQSA-N
XLogP-1.06
TPSA146.38 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 5-1.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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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
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-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-hydroxybenzamide
CID 53389701
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-[5-(bromomethyl)-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 71336668
2-amino-5-[[1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-5-oxopentanoic acid
CID 76806607
N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3,3,3-trifluoropropanamide
CID 170902536
1-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one
CID 59035000
N-[1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-propoxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 22874774
N-[1-[(1S,2S,4S,5R)-4-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 101017194

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of 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) is N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-(morpholin-4-ylmethyl)benzamide is O=C(Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1)c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-(morpholin-4-ylmethyl)benzamide?
The InChIKey is MVXGSSFDFOIMHG-DLVXIWMQSA-N. The full InChI is InChI=1S/C21H26N4O7/c26-12-15-17(27)18(28)20(32-15)25-6-5-16(23-21(25)30)22-19(29)14-3-1-13(2-4-14)11-24-7-9-31-10-8-24/h1-6,15,17-18,20,26-28H,7-12H2,(H,22,23,29,30)/t15-,17-,18-,20-/m1/s1.
What are the key properties of N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-(morpholin-4-ylmethyl)benzamide?
N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-(morpholin-4-ylmethyl)benzamide has a molecular weight of 446.46 g/mol, XLogP of -1.06, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 15755632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).