N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide

C18H26N4O3 — CID 110119318

IUPACN-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESO=C(CN1CCCCCC1=O)NCc1cnc(C2CCCCO2)nc1
InChIInChI=1S/C18H26N4O3/c23-16(13-22-8-4-1-2-7-17(22)24)19-10-14-11-20-18(21-12-14)15-6-3-5-9-25-15/h11-12,15H,1-10,13H2,(H,19,23)
InChIKeyGPXFSLVVUSPXJA-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.74
Rot. Bonds5

About N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide

N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide (PubChem CID 110119318) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide
PubChem CID110119318
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESO=C(CN1CCCCCC1=O)NCc1cnc(C2CCCCO2)nc1
InChIInChI=1S/C18H26N4O3/c23-16(13-22-8-4-1-2-7-17(22)24)19-10-14-11-20-18(21-12-14)15-6-3-5-9-25-15/h11-12,15H,1-10,13H2,(H,19,23)
InChIKeyGPXFSLVVUSPXJA-UHFFFAOYSA-N
XLogP1.74
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[[2-(2-oxoazocan-1-yl)acetyl]amino]methyl]benzoic acid
CID 119165488
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 124954332
2-(3-fluoro-4-methoxyphenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide
CID 110117798
2-(3-fluoro-4-methoxyphenyl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 124968940
2-(4-methoxyphenoxy)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 124978968
2-(4-methoxyphenoxy)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide
CID 110117732
N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,2-oxazole-5-carboxamide
CID 124955120
4-[(dimethylamino)methyl]-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]benzamide
CID 110117770
N-[2-(cycloheptylamino)ethyl]-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
CID 119621354
N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]thiophene-3-carboxamide
CID 124949882
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78890715
2-(3-fluorophenoxy)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 124977627

Frequently Asked Questions

What is the IUPAC name of N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide?
The IUPAC name of N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide (CID 110119318) is N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide.
What is the SMILES notation for N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide?
The canonical SMILES for N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide is O=C(CN1CCCCCC1=O)NCc1cnc(C2CCCCO2)nc1.
What is the InChIKey of N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide?
The InChIKey is GPXFSLVVUSPXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c23-16(13-22-8-4-1-2-7-17(22)24)19-10-14-11-20-18(21-12-14)15-6-3-5-9-25-15/h11-12,15H,1-10,13H2,(H,19,23).
What are the key properties of N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide?
N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide has a molecular weight of 346.43 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide is sourced from PubChem (CID 110119318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).