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

C12H20N2O5 — CID 22797318

IUPAC(2R,3R,4R,5S)-6-(pyridin-4-ylmethylamino)hexane-1,2,3,4,5-pentol
SMILESOC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNCc1ccncc1
InChIInChI=1S/C12H20N2O5/c15-7-10(17)12(19)11(18)9(16)6-14-5-8-1-3-13-4-2-8/h1-4,9-12,14-19H,5-7H2/t9-,10+,11+,12+/m0/s1
InChIKeyGZJIGCYTPBVXLQ-IRCOFANPSA-N
MW272.30 g/mol
LogP-2.39
Rot. Bonds8

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

(2R,3R,4R,5S)-6-(pyridin-4-ylmethylamino)hexane-1,2,3,4,5-pentol (PubChem CID 22797318) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2R,3R,4R,5S)-6-(pyridin-4-ylmethylamino)hexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-6-(pyridin-4-ylmethylamino)hexane-1,2,3,4,5-pentol
PubChem CID22797318
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name(2R,3R,4R,5S)-6-(pyridin-4-ylmethylamino)hexane-1,2,3,4,5-pentol
SMILESOC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNCc1ccncc1
InChIInChI=1S/C12H20N2O5/c15-7-10(17)12(19)11(18)9(16)6-14-5-8-1-3-13-4-2-8/h1-4,9-12,14-19H,5-7H2/t9-,10+,11+,12+/m0/s1
InChIKeyGZJIGCYTPBVXLQ-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-4-ylmethylamino)hexane-1,2,3,4,5-pentol with MolForge

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Related Compounds

(2S)-1-(pyridin-4-ylmethylamino)propan-2-ol
CID 964925
(2R,3R,4R,5S)-6-(pyridin-2-ylmethylamino)hexane-1,2,3,4,5-pentol
CID 22797314
(2R,3S,4R,5R)-5,6-bis(benzylamino)hexane-1,2,3,4-tetrol
CID 90358448
2-(pyridin-4-ylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60899811
(2R,3R,4R,5S)-6-[benzyl(deuterio)amino]hexane-1,2,3,4,5-pentol
CID 141022283
2,2-dimethoxy-N-(pyridin-4-ylmethyl)ethanamine
CID 60663243
3-[(pyridin-4-ylmethylamino)methyl]hexan-1-ol
CID 111470632
2-N,2-N-dimethyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 61044403
1-(5-chlorothiophen-2-yl)-2-(pyridin-4-ylmethylamino)ethanol
CID 111463156
molecular hydrogen;N-(pyridin-4-ylmethyl)ethanamine
CID 145190725
1-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 4723379
1-(2,4-dichlorophenyl)-2-(pyridin-4-ylmethylamino)ethanol
CID 111114875

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-6-(pyridin-4-ylmethylamino)hexane-1,2,3,4,5-pentol?
The IUPAC name of (2R,3R,4R,5S)-6-(pyridin-4-ylmethylamino)hexane-1,2,3,4,5-pentol (CID 22797318) is (2R,3R,4R,5S)-6-(pyridin-4-ylmethylamino)hexane-1,2,3,4,5-pentol.
What is the SMILES notation for (2R,3R,4R,5S)-6-(pyridin-4-ylmethylamino)hexane-1,2,3,4,5-pentol?
The canonical SMILES for (2R,3R,4R,5S)-6-(pyridin-4-ylmethylamino)hexane-1,2,3,4,5-pentol is OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNCc1ccncc1.
What is the InChIKey of (2R,3R,4R,5S)-6-(pyridin-4-ylmethylamino)hexane-1,2,3,4,5-pentol?
The InChIKey is GZJIGCYTPBVXLQ-IRCOFANPSA-N. The full InChI is InChI=1S/C12H20N2O5/c15-7-10(17)12(19)11(18)9(16)6-14-5-8-1-3-13-4-2-8/h1-4,9-12,14-19H,5-7H2/t9-,10+,11+,12+/m0/s1.
What are the key properties of (2R,3R,4R,5S)-6-(pyridin-4-ylmethylamino)hexane-1,2,3,4,5-pentol?
(2R,3R,4R,5S)-6-(pyridin-4-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-4-ylmethylamino)hexane-1,2,3,4,5-pentol is sourced from PubChem (CID 22797318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).