N-[[4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-pyridin-2-ylethyl)amino]oxolan-2-yl]methyl]benzamide

C21H27N3O4 — CID 74578383

IUPACN-[[4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-pyridin-2-ylethyl)amino]oxolan-2-yl]methyl]benzamide
SMILESCN(CCc1ccccn1)C1C(CNC(=O)c2ccccc2)OC(CO)C1O
InChIInChI=1S/C21H27N3O4/c1-24(12-10-16-9-5-6-11-22-16)19-17(28-18(14-25)20(19)26)13-23-21(27)15-7-3-2-4-8-15/h2-9,11,17-20,25-26H,10,12-14H2,1H3,(H,23,27)
InChIKeyPDIRINRZFPENPZ-UHFFFAOYSA-N
MW385.46 g/mol
LogP0.48
Rot. Bonds8

About N-[[4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-pyridin-2-ylethyl)amino]oxolan-2-yl]methyl]benzamide

N-[[4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-pyridin-2-ylethyl)amino]oxolan-2-yl]methyl]benzamide (PubChem CID 74578383) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[[4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-pyridin-2-ylethyl)amino]oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-pyridin-2-ylethyl)amino]oxolan-2-yl]methyl]benzamide
PubChem CID74578383
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN-[[4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-pyridin-2-ylethyl)amino]oxolan-2-yl]methyl]benzamide
SMILESCN(CCc1ccccn1)C1C(CNC(=O)c2ccccc2)OC(CO)C1O
InChIInChI=1S/C21H27N3O4/c1-24(12-10-16-9-5-6-11-22-16)19-17(28-18(14-25)20(19)26)13-23-21(27)15-7-3-2-4-8-15/h2-9,11,17-20,25-26H,10,12-14H2,1H3,(H,23,27)
InChIKeyPDIRINRZFPENPZ-UHFFFAOYSA-N
XLogP0.48
TPSA94.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-4-fluoro-N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-pyridin-2-ylethyl)amino]oxolan-2-yl]methyl]benzamide
CID 28962252
1-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-pyridin-2-ylethyl)amino]oxolan-2-yl]methyl]-3-phenylurea;dihydrochloride
CID 146118897
5-[(dimethylamino)methyl]-2-(hydroxymethyl)-4-[methyl(2-pyridin-2-ylethyl)amino]oxolan-3-ol
CID 74578427
N-[[4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-pyridin-2-ylethyl)amino]oxolan-2-yl]methyl]-4-methylbenzenesulfonamide
CID 74578397
(2S,3S,4R,5R)-2-(hydroxymethyl)-5-[[(1-methylpiperidin-4-yl)amino]methyl]-4-[methyl(2-pyridin-2-ylethyl)amino]oxolan-3-ol
CID 28962296
5-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-(hydroxymethyl)-4-[methyl(2-phenylethyl)amino]oxolan-3-ol
CID 74577760
N-[[3-[2-(dimethylamino)ethyl-methylamino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-3-fluorobenzamide
CID 74577842
1-[[3-[2-(dimethylamino)ethyl-methylamino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-3-phenylurea
CID 74577853
N-[[(2R,3S,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-phenylethyl)amino]oxolan-2-yl]methyl]benzenesulfonamide
CID 163167916
N-[[(2R,3S,4R)-4-[bis(pyridin-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75536471
(2S,3S,4S,5R)-5-[(cyclohexylamino)methyl]-2-(hydroxymethyl)-4-[methyl(2-phenylethyl)amino]oxolan-3-ol
CID 162874255
1-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-phenylethyl)amino]oxolan-2-yl]methyl]-3-thiophen-3-ylurea;hydrochloride
CID 146118874

Frequently Asked Questions

What is the IUPAC name of N-[[4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-pyridin-2-ylethyl)amino]oxolan-2-yl]methyl]benzamide?
The IUPAC name of N-[[4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-pyridin-2-ylethyl)amino]oxolan-2-yl]methyl]benzamide (CID 74578383) is N-[[4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-pyridin-2-ylethyl)amino]oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-pyridin-2-ylethyl)amino]oxolan-2-yl]methyl]benzamide?
The canonical SMILES for N-[[4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-pyridin-2-ylethyl)amino]oxolan-2-yl]methyl]benzamide is CN(CCc1ccccn1)C1C(CNC(=O)c2ccccc2)OC(CO)C1O.
What is the InChIKey of N-[[4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-pyridin-2-ylethyl)amino]oxolan-2-yl]methyl]benzamide?
The InChIKey is PDIRINRZFPENPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-24(12-10-16-9-5-6-11-22-16)19-17(28-18(14-25)20(19)26)13-23-21(27)15-7-3-2-4-8-15/h2-9,11,17-20,25-26H,10,12-14H2,1H3,(H,23,27).
What are the key properties of N-[[4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-pyridin-2-ylethyl)amino]oxolan-2-yl]methyl]benzamide?
N-[[4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-pyridin-2-ylethyl)amino]oxolan-2-yl]methyl]benzamide has a molecular weight of 385.46 g/mol, XLogP of 0.48, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-pyridin-2-ylethyl)amino]oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 74578383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).