(2R,3R,4R,5S)-6-(pyridin-2-ylmethylamino)hexane-1,2,3,4,5-pentol

C12H20N2O5 — CID 22797314

IUPAC(2R,3R,4R,5S)-6-(pyridin-2-ylmethylamino)hexane-1,2,3,4,5-pentol
SMILESOC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNCc1ccccn1
InChIInChI=1S/C12H20N2O5/c15-7-10(17)12(19)11(18)9(16)6-13-5-8-3-1-2-4-14-8/h1-4,9-13,15-19H,5-7H2/t9-,10+,11+,12+/m0/s1
InChIKeySFHFROJFLVFZKR-IRCOFANPSA-N
MW272.30 g/mol
LogP-2.39
Rot. Bonds8

About (2R,3R,4R,5S)-6-(pyridin-2-ylmethylamino)hexane-1,2,3,4,5-pentol

(2R,3R,4R,5S)-6-(pyridin-2-ylmethylamino)hexane-1,2,3,4,5-pentol (PubChem CID 22797314) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2R,3R,4R,5S)-6-(pyridin-2-ylmethylamino)hexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-6-(pyridin-2-ylmethylamino)hexane-1,2,3,4,5-pentol
PubChem CID22797314
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name(2R,3R,4R,5S)-6-(pyridin-2-ylmethylamino)hexane-1,2,3,4,5-pentol
SMILESOC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNCc1ccccn1
InChIInChI=1S/C12H20N2O5/c15-7-10(17)12(19)11(18)9(16)6-13-5-8-3-1-2-4-14-8/h1-4,9-13,15-19H,5-7H2/t9-,10+,11+,12+/m0/s1
InChIKeySFHFROJFLVFZKR-IRCOFANPSA-N
XLogP-2.39
TPSA126.07 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.30
LogP ≤ 5-2.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze (2R,3R,4R,5S)-6-(pyridin-2-ylmethylamino)hexane-1,2,3,4,5-pentol with MolForge

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Related Compounds

(2R,3S)-3-amino-4-phenyl-1-(pyridin-2-ylmethylamino)butan-2-ol
CID 68608574
(2R,3R,4R,5S)-6-(pyridin-4-ylmethylamino)hexane-1,2,3,4,5-pentol
CID 22797318
4-methyl-5-(pyridin-2-ylmethylamino)pentan-2-ol
CID 115644639
2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine;hydrochloride
CID 17332283
N-(pyridin-2-ylmethyl)-1-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]methanamine
CID 564837
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
1-(4-methoxyphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633719
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
1-pyrazol-1-yl-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60901076
(2S)-3-(2-pyridin-2-ylethylamino)propane-1,2-diol
CID 61149855
2-N,2-N-diethyl-1-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 115581231
methyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate
CID 43398410

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-6-(pyridin-2-ylmethylamino)hexane-1,2,3,4,5-pentol?
The IUPAC name of (2R,3R,4R,5S)-6-(pyridin-2-ylmethylamino)hexane-1,2,3,4,5-pentol (CID 22797314) is (2R,3R,4R,5S)-6-(pyridin-2-ylmethylamino)hexane-1,2,3,4,5-pentol.
What is the SMILES notation for (2R,3R,4R,5S)-6-(pyridin-2-ylmethylamino)hexane-1,2,3,4,5-pentol?
The canonical SMILES for (2R,3R,4R,5S)-6-(pyridin-2-ylmethylamino)hexane-1,2,3,4,5-pentol is OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNCc1ccccn1.
What is the InChIKey of (2R,3R,4R,5S)-6-(pyridin-2-ylmethylamino)hexane-1,2,3,4,5-pentol?
The InChIKey is SFHFROJFLVFZKR-IRCOFANPSA-N. The full InChI is InChI=1S/C12H20N2O5/c15-7-10(17)12(19)11(18)9(16)6-13-5-8-3-1-2-4-14-8/h1-4,9-13,15-19H,5-7H2/t9-,10+,11+,12+/m0/s1.
What are the key properties of (2R,3R,4R,5S)-6-(pyridin-2-ylmethylamino)hexane-1,2,3,4,5-pentol?
(2R,3R,4R,5S)-6-(pyridin-2-ylmethylamino)hexane-1,2,3,4,5-pentol has a molecular weight of 272.30 g/mol, XLogP of -2.39, 8 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-6-(pyridin-2-ylmethylamino)hexane-1,2,3,4,5-pentol is sourced from PubChem (CID 22797314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).