2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]acetamide

C16H20N4O5 — CID 133260661

IUPAC2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]acetamide
SMILESCc1ccc(O[C@@H]2COCC[C@@H]2NC(=O)CN2C(=O)CNC2=O)cn1
InChIInChI=1S/C16H20N4O5/c1-10-2-3-11(6-17-10)25-13-9-24-5-4-12(13)19-14(21)8-20-15(22)7-18-16(20)23/h2-3,6,12-13H,4-5,7-9H2,1H3,(H,18,23)(H,19,21)/t12-,13+/m0/s1
InChIKeyHVLQQTLSKCYZJR-QWHCGFSZSA-N
MW348.36 g/mol
LogP-0.41
Rot. Bonds5

About 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]acetamide

2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]acetamide (PubChem CID 133260661) has the molecular formula C16H20N4O5 and a molecular weight of 348.36 g/mol. Its IUPAC name is 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]acetamide
PubChem CID133260661
Molecular FormulaC16H20N4O5
Molecular Weight348.36 g/mol
Exact Mass348.14
IUPAC Name2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]acetamide
SMILESCc1ccc(O[C@@H]2COCC[C@@H]2NC(=O)CN2C(=O)CNC2=O)cn1
InChIInChI=1S/C16H20N4O5/c1-10-2-3-11(6-17-10)25-13-9-24-5-4-12(13)19-14(21)8-20-15(22)7-18-16(20)23/h2-3,6,12-13H,4-5,7-9H2,1H3,(H,18,23)(H,19,21)/t12-,13+/m0/s1
InChIKeyHVLQQTLSKCYZJR-QWHCGFSZSA-N
XLogP-0.41
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 91762296
N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2-(triazol-1-yl)acetamide
CID 133267072
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
2-ethoxy-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]pyridine-3-carboxamide
CID 133267607
2,5-dimethyl-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]furan-3-carboxamide
CID 133268048
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide
CID 90653248
5-ethyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]thiophene-3-carboxamide
CID 91780113
3-amino-4-chloro-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-1H-pyrazole-5-carboxamide
CID 91780973
N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 91763480
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 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]acetamide?
The IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]acetamide (CID 133260661) is 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]acetamide.
What is the SMILES notation for 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]acetamide?
The canonical SMILES for 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]acetamide is Cc1ccc(O[C@@H]2COCC[C@@H]2NC(=O)CN2C(=O)CNC2=O)cn1.
What is the InChIKey of 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]acetamide?
The InChIKey is HVLQQTLSKCYZJR-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H20N4O5/c1-10-2-3-11(6-17-10)25-13-9-24-5-4-12(13)19-14(21)8-20-15(22)7-18-16(20)23/h2-3,6,12-13H,4-5,7-9H2,1H3,(H,18,23)(H,19,21)/t12-,13+/m0/s1.
What are the key properties of 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]acetamide?
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]acetamide has a molecular weight of 348.36 g/mol, XLogP of -0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]acetamide is sourced from PubChem (CID 133260661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).