N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(2-oxopyrimidin-1-yl)acetamide

C17H20N4O4 — CID 91762296

IUPACN-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCc1ccc(O[C@H]2COCC[C@H]2NC(=O)Cn2cccnc2=O)cn1
InChIInChI=1S/C17H20N4O4/c1-12-3-4-13(9-19-12)25-15-11-24-8-5-14(15)20-16(22)10-21-7-2-6-18-17(21)23/h2-4,6-7,9,14-15H,5,8,10-11H2,1H3,(H,20,22)/t14-,15+/m1/s1
InChIKeyCLIFWTMPHZOOPZ-CABCVRRESA-N
MW344.37 g/mol
LogP0.30
Rot. Bonds5

About N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(2-oxopyrimidin-1-yl)acetamide

N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 91762296) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID91762296
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC NameN-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCc1ccc(O[C@H]2COCC[C@H]2NC(=O)Cn2cccnc2=O)cn1
InChIInChI=1S/C17H20N4O4/c1-12-3-4-13(9-19-12)25-15-11-24-8-5-14(15)20-16(22)10-21-7-2-6-18-17(21)23/h2-4,6-7,9,14-15H,5,8,10-11H2,1H3,(H,20,22)/t14-,15+/m1/s1
InChIKeyCLIFWTMPHZOOPZ-CABCVRRESA-N
XLogP0.30
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(2-oxopyrimidin-1-yl)acetamide with MolForge

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Related Compounds

2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]acetamide
CID 133260661
N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(triazol-1-yl)acetamide
CID 133267072
2-ethoxy-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]pyridine-3-carboxamide
CID 133267607
N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 91763480
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]acetamide
CID 91777974
2-methyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]propanamide
CID 91787096
N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-3-(oxazinan-2-yl)propanamide
CID 133267645
5-ethyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]thiophene-3-carboxamide
CID 91780113
2,5-dimethyl-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]furan-3-carboxamide
CID 133268048
N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-3-carboxamide
CID 91771832
3-amino-4-chloro-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-1H-pyrazole-5-carboxamide
CID 91780973
N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-3-pyrazin-2-ylpropanamide
CID 91760405

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(2-oxopyrimidin-1-yl)acetamide (CID 91762296) is N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(2-oxopyrimidin-1-yl)acetamide is Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)Cn2cccnc2=O)cn1.
What is the InChIKey of N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is CLIFWTMPHZOOPZ-CABCVRRESA-N. The full InChI is InChI=1S/C17H20N4O4/c1-12-3-4-13(9-19-12)25-15-11-24-8-5-14(15)20-16(22)10-21-7-2-6-18-17(21)23/h2-4,6-7,9,14-15H,5,8,10-11H2,1H3,(H,20,22)/t14-,15+/m1/s1.
What are the key properties of N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(2-oxopyrimidin-1-yl)acetamide?
N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 344.37 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 91762296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).