N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]benzamide

C18H21N3O3 — CID 75536619

IUPACN-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1OC[C@@H](NCc2ccccn2)[C@@H]1O)c1ccccc1
InChIInChI=1S/C18H21N3O3/c22-17-15(20-10-14-8-4-5-9-19-14)12-24-16(17)11-21-18(23)13-6-2-1-3-7-13/h1-9,15-17,20,22H,10-12H2,(H,21,23)/t15-,16-,17+/m1/s1
InChIKeyHZMKZHAFSIMZIH-ZACQAIPSSA-N
MW327.38 g/mol
LogP0.73
Rot. Bonds6

About N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]benzamide

N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]benzamide (PubChem CID 75536619) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]benzamide
PubChem CID75536619
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1OC[C@@H](NCc2ccccn2)[C@@H]1O)c1ccccc1
InChIInChI=1S/C18H21N3O3/c22-17-15(20-10-14-8-4-5-9-19-14)12-24-16(17)11-21-18(23)13-6-2-1-3-7-13/h1-9,15-17,20,22H,10-12H2,(H,21,23)/t15-,16-,17+/m1/s1
InChIKeyHZMKZHAFSIMZIH-ZACQAIPSSA-N
XLogP0.73
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]benzamide?
The IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]benzamide (CID 75536619) is N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]benzamide?
The canonical SMILES for N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]benzamide is O=C(NC[C@H]1OC[C@@H](NCc2ccccn2)[C@@H]1O)c1ccccc1.
What is the InChIKey of N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]benzamide?
The InChIKey is HZMKZHAFSIMZIH-ZACQAIPSSA-N. The full InChI is InChI=1S/C18H21N3O3/c22-17-15(20-10-14-8-4-5-9-19-14)12-24-16(17)11-21-18(23)13-6-2-1-3-7-13/h1-9,15-17,20,22H,10-12H2,(H,21,23)/t15-,16-,17+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]benzamide?
N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]benzamide has a molecular weight of 327.38 g/mol, XLogP of 0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-3-hydroxy-4-(pyridin-2-ylmethylamino)oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 75536619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).