cis-(1S,2R)-4-[(pyridin-2-ylmethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol

C18H23N3O3 — CID 75367880

IUPACcis-(1S,2R)-4-[(pyridin-2-ylmethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol
SMILESO[C@@H]1CC(CNCc2ccccn2)(COc2cccnc2)C[C@@H]1O
InChIInChI=1S/C18H23N3O3/c22-16-8-18(9-17(16)23,13-24-15-5-3-6-19-11-15)12-20-10-14-4-1-2-7-21-14/h1-7,11,16-17,20,22-23H,8-10,12-13H2/t16-,17+,18?
InChIKeyUYIFLKZZNMUTOM-JWTNVVGKSA-N
MW329.40 g/mol
LogP1.15
Rot. Bonds7

About cis-(1S,2R)-4-[(pyridin-2-ylmethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol

cis-(1S,2R)-4-[(pyridin-2-ylmethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol (PubChem CID 75367880) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is cis-(1S,2R)-4-[(pyridin-2-ylmethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol.

Molecular Properties

Compound Namecis-(1S,2R)-4-[(pyridin-2-ylmethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol
PubChem CID75367880
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Namecis-(1S,2R)-4-[(pyridin-2-ylmethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol
SMILESO[C@@H]1CC(CNCc2ccccn2)(COc2cccnc2)C[C@@H]1O
InChIInChI=1S/C18H23N3O3/c22-16-8-18(9-17(16)23,13-24-15-5-3-6-19-11-15)12-20-10-14-4-1-2-7-21-14/h1-7,11,16-17,20,22-23H,8-10,12-13H2/t16-,17+,18?
InChIKeyUYIFLKZZNMUTOM-JWTNVVGKSA-N
XLogP1.15
TPSA87.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-4-[(pyridin-2-ylmethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol?
The IUPAC name of cis-(1S,2R)-4-[(pyridin-2-ylmethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol (CID 75367880) is cis-(1S,2R)-4-[(pyridin-2-ylmethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol.
What is the SMILES notation for cis-(1S,2R)-4-[(pyridin-2-ylmethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol?
The canonical SMILES for cis-(1S,2R)-4-[(pyridin-2-ylmethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol is O[C@@H]1CC(CNCc2ccccn2)(COc2cccnc2)C[C@@H]1O.
What is the InChIKey of cis-(1S,2R)-4-[(pyridin-2-ylmethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol?
The InChIKey is UYIFLKZZNMUTOM-JWTNVVGKSA-N. The full InChI is InChI=1S/C18H23N3O3/c22-16-8-18(9-17(16)23,13-24-15-5-3-6-19-11-15)12-20-10-14-4-1-2-7-21-14/h1-7,11,16-17,20,22-23H,8-10,12-13H2/t16-,17+,18?.
What are the key properties of cis-(1S,2R)-4-[(pyridin-2-ylmethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol?
cis-(1S,2R)-4-[(pyridin-2-ylmethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol has a molecular weight of 329.40 g/mol, XLogP of 1.15, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-4-[(pyridin-2-ylmethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol is sourced from PubChem (CID 75367880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).