(2S,3R)-6-[[[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]methylamino]methyl]oxane-2,3-diol

C25H31N5O3 — CID 142289373

IUPAC(2S,3R)-6-[[[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]methylamino]methyl]oxane-2,3-diol
SMILESO[C@@H]1CCC(CNCc2ccc(CN(Cc3ccccn3)Cc3ccccn3)nc2)O[C@@H]1O
InChIInChI=1S/C25H31N5O3/c31-24-10-9-23(33-25(24)32)15-26-13-19-7-8-22(29-14-19)18-30(16-20-5-1-3-11-27-20)17-21-6-2-4-12-28-21/h1-8,11-12,14,23-26,31-32H,9-10,13,15-18H2/t23?,24-,25+/m1/s1
InChIKeyQZXPJHDCFNNMML-ZQWZXOJDSA-N
MW449.56 g/mol
LogP2.02
Rot. Bonds10

About (2S,3R)-6-[[[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]methylamino]methyl]oxane-2,3-diol

(2S,3R)-6-[[[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]methylamino]methyl]oxane-2,3-diol (PubChem CID 142289373) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is (2S,3R)-6-[[[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]methylamino]methyl]oxane-2,3-diol.

Molecular Properties

Compound Name(2S,3R)-6-[[[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]methylamino]methyl]oxane-2,3-diol
PubChem CID142289373
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC Name(2S,3R)-6-[[[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]methylamino]methyl]oxane-2,3-diol
SMILESO[C@@H]1CCC(CNCc2ccc(CN(Cc3ccccn3)Cc3ccccn3)nc2)O[C@@H]1O
InChIInChI=1S/C25H31N5O3/c31-24-10-9-23(33-25(24)32)15-26-13-19-7-8-22(29-14-19)18-30(16-20-5-1-3-11-27-20)17-21-6-2-4-12-28-21/h1-8,11-12,14,23-26,31-32H,9-10,13,15-18H2/t23?,24-,25+/m1/s1
InChIKeyQZXPJHDCFNNMML-ZQWZXOJDSA-N
XLogP2.02
TPSA103.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2S,3R)-6-[[[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]methylamino]methyl]oxane-2,3-diol with MolForge

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Launch Full Analysis

Related Compounds

(5R,6S)-2-[[[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]methylamino]methyl]-5,6-dihydroxyoxane-2-carbaldehyde
CID 167019965
1-[5-[[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]methoxymethyl]-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 10312778
N-[[5-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]methyl]-2-pyridin-2-yl-N-(2-pyridin-2-ylethyl)ethanamine
CID 101335299
1-[5-(azidomethyl)-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 134274845
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
2-[(3R,6S)-3-[[2-[[2-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]acetyl]amino]-3-pyridinyl]sulfanyl]-2-hydroxyoxaborinan-6-yl]acetic acid
CID 153431349
N-methyl-N'-[[5-[[3-[[3-[[3-(pyridin-2-ylmethylamino)propylamino]methyl]phenyl]methylamino]propylamino]methyl]oxolan-2-yl]methyl]propane-1,3-diamine
CID 154555606
2-[(3R,6S)-3-[[2-[[2-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]acetyl]amino]-3-pyridinyl]sulfanyl]-2-hydroxyoxaborinan-6-yl]acetate
CID 153431348
N-[[5-[2-[6-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]ethyl]-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)ethanamine;bis(pyridine)
CID 157458399
N-[4-(2-aminoethyl)phenyl]-6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxamide
CID 134263953
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 92614286

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-6-[[[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]methylamino]methyl]oxane-2,3-diol?
The IUPAC name of (2S,3R)-6-[[[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]methylamino]methyl]oxane-2,3-diol (CID 142289373) is (2S,3R)-6-[[[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]methylamino]methyl]oxane-2,3-diol.
What is the SMILES notation for (2S,3R)-6-[[[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]methylamino]methyl]oxane-2,3-diol?
The canonical SMILES for (2S,3R)-6-[[[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]methylamino]methyl]oxane-2,3-diol is O[C@@H]1CCC(CNCc2ccc(CN(Cc3ccccn3)Cc3ccccn3)nc2)O[C@@H]1O.
What is the InChIKey of (2S,3R)-6-[[[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]methylamino]methyl]oxane-2,3-diol?
The InChIKey is QZXPJHDCFNNMML-ZQWZXOJDSA-N. The full InChI is InChI=1S/C25H31N5O3/c31-24-10-9-23(33-25(24)32)15-26-13-19-7-8-22(29-14-19)18-30(16-20-5-1-3-11-27-20)17-21-6-2-4-12-28-21/h1-8,11-12,14,23-26,31-32H,9-10,13,15-18H2/t23?,24-,25+/m1/s1.
What are the key properties of (2S,3R)-6-[[[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]methylamino]methyl]oxane-2,3-diol?
(2S,3R)-6-[[[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]methylamino]methyl]oxane-2,3-diol has a molecular weight of 449.56 g/mol, XLogP of 2.02, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-6-[[[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]methylamino]methyl]oxane-2,3-diol is sourced from PubChem (CID 142289373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).