3-(methoxymethyl)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide

C19H23N3O3 — CID 124979072

IUPAC3-(methoxymethyl)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide
SMILESCOCc1cccc(C(=O)NCc2cnc([C@H]3CCCCO3)nc2)c1
InChIInChI=1S/C19H23N3O3/c1-24-13-14-5-4-6-16(9-14)19(23)22-12-15-10-20-18(21-11-15)17-7-2-3-8-25-17/h4-6,9-11,17H,2-3,7-8,12-13H2,1H3,(H,22,23)/t17-/m1/s1
InChIKeyLYKVTRDTKMARKW-QGZVFWFLSA-N
MW341.41 g/mol
LogP2.79
Rot. Bonds6

About 3-(methoxymethyl)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide

3-(methoxymethyl)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide (PubChem CID 124979072) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide
PubChem CID124979072
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name3-(methoxymethyl)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide
SMILESCOCc1cccc(C(=O)NCc2cnc([C@H]3CCCCO3)nc2)c1
InChIInChI=1S/C19H23N3O3/c1-24-13-14-5-4-6-16(9-14)19(23)22-12-15-10-20-18(21-11-15)17-7-2-3-8-25-17/h4-6,9-11,17H,2-3,7-8,12-13H2,1H3,(H,22,23)/t17-/m1/s1
InChIKeyLYKVTRDTKMARKW-QGZVFWFLSA-N
XLogP2.79
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-4-methoxy-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide
CID 125002782
N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]thiophene-3-carboxamide
CID 124949882
4-[(dimethylamino)methyl]-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]benzamide
CID 110117770
4-[(dimethylamino)methyl]-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide
CID 124945377
N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide
CID 124973943
4-methyl-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,3-oxazole-5-carboxamide
CID 124977574
5-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-1,2-oxazole-3-carboxamide
CID 110117708
5-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrazine-2-carboxamide
CID 124956730
N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,2-oxazole-5-carboxamide
CID 124955120
2-(3-fluoro-4-methoxyphenyl)-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]acetamide
CID 110117798
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

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide?
The IUPAC name of 3-(methoxymethyl)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide (CID 124979072) is 3-(methoxymethyl)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide.
What is the SMILES notation for 3-(methoxymethyl)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide?
The canonical SMILES for 3-(methoxymethyl)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide is COCc1cccc(C(=O)NCc2cnc([C@H]3CCCCO3)nc2)c1.
What is the InChIKey of 3-(methoxymethyl)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide?
The InChIKey is LYKVTRDTKMARKW-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-24-13-14-5-4-6-16(9-14)19(23)22-12-15-10-20-18(21-11-15)17-7-2-3-8-25-17/h4-6,9-11,17H,2-3,7-8,12-13H2,1H3,(H,22,23)/t17-/m1/s1.
What are the key properties of 3-(methoxymethyl)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide?
3-(methoxymethyl)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide has a molecular weight of 341.41 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide is sourced from PubChem (CID 124979072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).