N-[(2R,4R,6S)-2-phenyl-6-(2-pyridin-2-ylpyrimidin-5-yl)oxan-4-yl]acetamide

C22H22N4O2 — CID 50959656

IUPACN-[(2R,4R,6S)-2-phenyl-6-(2-pyridin-2-ylpyrimidin-5-yl)oxan-4-yl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H](c2cnc(-c3ccccn3)nc2)O[C@@H](c2ccccc2)C1
InChIInChI=1S/C22H22N4O2/c1-15(27)26-18-11-20(16-7-3-2-4-8-16)28-21(12-18)17-13-24-22(25-14-17)19-9-5-6-10-23-19/h2-10,13-14,18,20-21H,11-12H2,1H3,(H,26,27)/t18-,20-,21+/m1/s1
InChIKeyWBALETQOGIQXPJ-NRSPTQNISA-N
MW374.44 g/mol
LogP3.64
Rot. Bonds4

About N-[(2R,4R,6S)-2-phenyl-6-(2-pyridin-2-ylpyrimidin-5-yl)oxan-4-yl]acetamide

N-[(2R,4R,6S)-2-phenyl-6-(2-pyridin-2-ylpyrimidin-5-yl)oxan-4-yl]acetamide (PubChem CID 50959656) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[(2R,4R,6S)-2-phenyl-6-(2-pyridin-2-ylpyrimidin-5-yl)oxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,4R,6S)-2-phenyl-6-(2-pyridin-2-ylpyrimidin-5-yl)oxan-4-yl]acetamide
PubChem CID50959656
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-[(2R,4R,6S)-2-phenyl-6-(2-pyridin-2-ylpyrimidin-5-yl)oxan-4-yl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H](c2cnc(-c3ccccn3)nc2)O[C@@H](c2ccccc2)C1
InChIInChI=1S/C22H22N4O2/c1-15(27)26-18-11-20(16-7-3-2-4-8-16)28-21(12-18)17-13-24-22(25-14-17)19-9-5-6-10-23-19/h2-10,13-14,18,20-21H,11-12H2,1H3,(H,26,27)/t18-,20-,21+/m1/s1
InChIKeyWBALETQOGIQXPJ-NRSPTQNISA-N
XLogP3.64
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2R,4R,6S)-2-phenyl-6-(2-pyridin-2-ylpyrimidin-5-yl)oxan-4-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R,6S)-2-phenyl-6-(2-pyridin-2-ylpyrimidin-5-yl)oxan-4-yl]acetamide?
The IUPAC name of N-[(2R,4R,6S)-2-phenyl-6-(2-pyridin-2-ylpyrimidin-5-yl)oxan-4-yl]acetamide (CID 50959656) is N-[(2R,4R,6S)-2-phenyl-6-(2-pyridin-2-ylpyrimidin-5-yl)oxan-4-yl]acetamide.
What is the SMILES notation for N-[(2R,4R,6S)-2-phenyl-6-(2-pyridin-2-ylpyrimidin-5-yl)oxan-4-yl]acetamide?
The canonical SMILES for N-[(2R,4R,6S)-2-phenyl-6-(2-pyridin-2-ylpyrimidin-5-yl)oxan-4-yl]acetamide is CC(=O)N[C@H]1C[C@@H](c2cnc(-c3ccccn3)nc2)O[C@@H](c2ccccc2)C1.
What is the InChIKey of N-[(2R,4R,6S)-2-phenyl-6-(2-pyridin-2-ylpyrimidin-5-yl)oxan-4-yl]acetamide?
The InChIKey is WBALETQOGIQXPJ-NRSPTQNISA-N. The full InChI is InChI=1S/C22H22N4O2/c1-15(27)26-18-11-20(16-7-3-2-4-8-16)28-21(12-18)17-13-24-22(25-14-17)19-9-5-6-10-23-19/h2-10,13-14,18,20-21H,11-12H2,1H3,(H,26,27)/t18-,20-,21+/m1/s1.
What are the key properties of N-[(2R,4R,6S)-2-phenyl-6-(2-pyridin-2-ylpyrimidin-5-yl)oxan-4-yl]acetamide?
N-[(2R,4R,6S)-2-phenyl-6-(2-pyridin-2-ylpyrimidin-5-yl)oxan-4-yl]acetamide has a molecular weight of 374.44 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R,6S)-2-phenyl-6-(2-pyridin-2-ylpyrimidin-5-yl)oxan-4-yl]acetamide is sourced from PubChem (CID 50959656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).