N-[1-[(2R,4R,5R)-5-(hydroxymethyl)-4-prop-2-ynoxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide

C19H19N3O5 — CID 16745944

IUPACN-[1-[(2R,4R,5R)-5-(hydroxymethyl)-4-prop-2-ynoxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
SMILESC#CCO[C@@H]1C[C@H](n2ccc(NC(=O)c3ccccc3)nc2=O)O[C@@H]1CO
InChIInChI=1S/C19H19N3O5/c1-2-10-26-14-11-17(27-15(14)12-23)22-9-8-16(21-19(22)25)20-18(24)13-6-4-3-5-7-13/h1,3-9,14-15,17,23H,10-12H2,(H,20,21,24,25)/t14-,15-,17-/m1/s1
InChIKeyVUDFTOHJBXWAGS-BFYDXBDKSA-N
MW369.38 g/mol
LogP0.79
Rot. Bonds6

About N-[1-[(2R,4R,5R)-5-(hydroxymethyl)-4-prop-2-ynoxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide

N-[1-[(2R,4R,5R)-5-(hydroxymethyl)-4-prop-2-ynoxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide (PubChem CID 16745944) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-[1-[(2R,4R,5R)-5-(hydroxymethyl)-4-prop-2-ynoxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(2R,4R,5R)-5-(hydroxymethyl)-4-prop-2-ynoxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
PubChem CID16745944
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC NameN-[1-[(2R,4R,5R)-5-(hydroxymethyl)-4-prop-2-ynoxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
SMILESC#CCO[C@@H]1C[C@H](n2ccc(NC(=O)c3ccccc3)nc2=O)O[C@@H]1CO
InChIInChI=1S/C19H19N3O5/c1-2-10-26-14-11-17(27-15(14)12-23)22-9-8-16(21-19(22)25)20-18(24)13-6-4-3-5-7-13/h1,3-9,14-15,17,23H,10-12H2,(H,20,21,24,25)/t14-,15-,17-/m1/s1
InChIKeyVUDFTOHJBXWAGS-BFYDXBDKSA-N
XLogP0.79
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R,4R,5R)-5-(hydroxymethyl)-4-prop-2-ynoxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide?
The IUPAC name of N-[1-[(2R,4R,5R)-5-(hydroxymethyl)-4-prop-2-ynoxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide (CID 16745944) is N-[1-[(2R,4R,5R)-5-(hydroxymethyl)-4-prop-2-ynoxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[(2R,4R,5R)-5-(hydroxymethyl)-4-prop-2-ynoxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide?
The canonical SMILES for N-[1-[(2R,4R,5R)-5-(hydroxymethyl)-4-prop-2-ynoxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide is C#CCO[C@@H]1C[C@H](n2ccc(NC(=O)c3ccccc3)nc2=O)O[C@@H]1CO.
What is the InChIKey of N-[1-[(2R,4R,5R)-5-(hydroxymethyl)-4-prop-2-ynoxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide?
The InChIKey is VUDFTOHJBXWAGS-BFYDXBDKSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-2-10-26-14-11-17(27-15(14)12-23)22-9-8-16(21-19(22)25)20-18(24)13-6-4-3-5-7-13/h1,3-9,14-15,17,23H,10-12H2,(H,20,21,24,25)/t14-,15-,17-/m1/s1.
What are the key properties of N-[1-[(2R,4R,5R)-5-(hydroxymethyl)-4-prop-2-ynoxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide?
N-[1-[(2R,4R,5R)-5-(hydroxymethyl)-4-prop-2-ynoxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide has a molecular weight of 369.38 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R,4R,5R)-5-(hydroxymethyl)-4-prop-2-ynoxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide is sourced from PubChem (CID 16745944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).