[6-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methanol

C21H24N4O — CID 102022866

IUPAC[6-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methanol
SMILESCc1cccc(CN(Cc2cccc(C)n2)Cc2cccc(CO)n2)n1
InChIInChI=1S/C21H24N4O/c1-16-6-3-8-18(22-16)12-25(13-19-9-4-7-17(2)23-19)14-20-10-5-11-21(15-26)24-20/h3-11,26H,12-15H2,1-2H3
InChIKeyLKMBKMBQQIHLOZ-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.18
Rot. Bonds7

About [6-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methanol

[6-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methanol (PubChem CID 102022866) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is [6-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methanol
PubChem CID102022866
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name[6-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methanol
SMILESCc1cccc(CN(Cc2cccc(C)n2)Cc2cccc(CO)n2)n1
InChIInChI=1S/C21H24N4O/c1-16-6-3-8-18(22-16)12-25(13-19-9-4-7-17(2)23-19)14-20-10-5-11-21(15-26)24-20/h3-11,26H,12-15H2,1-2H3
InChIKeyLKMBKMBQQIHLOZ-UHFFFAOYSA-N
XLogP3.18
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methanol with MolForge

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Related Compounds

ethane;(6-methyl-2-pyridinyl)methanol
CID 123372592
(6-methyl-2-pyridinyl)methanol;hydrochloride
CID 18413908
1-[3-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N,N-bis[(6-methyl-2-pyridinyl)methyl]methanamine
CID 11607609
[6-[(dimethylamino)methyl]-2-pyridinyl]methanol
CID 15592300
2-[(6-methyl-2-pyridinyl)methyl-propylamino]ethanol
CID 78996621
ethane;N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 143432699
N,N'-dibenzyl-N,N'-bis[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 102375752
N,N-bis[(6-methyl-2-pyridinyl)methyl]-1-pyridin-3-ylmethanamine
CID 84591264
(2S)-1-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-2-ol
CID 103935273
2,6-bis[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]-4-methoxyphenol
CID 102180291
1,4-bis[bis[(6-methyl-2-pyridinyl)methyl]amino]butan-2-ol
CID 100917591
[2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-oxazol-4-yl]methanol
CID 113377488

Frequently Asked Questions

What is the IUPAC name of [6-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methanol?
The IUPAC name of [6-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methanol (CID 102022866) is [6-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methanol is Cc1cccc(CN(Cc2cccc(C)n2)Cc2cccc(CO)n2)n1.
What is the InChIKey of [6-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methanol?
The InChIKey is LKMBKMBQQIHLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-16-6-3-8-18(22-16)12-25(13-19-9-4-7-17(2)23-19)14-20-10-5-11-21(15-26)24-20/h3-11,26H,12-15H2,1-2H3.
What are the key properties of [6-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methanol?
[6-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methanol has a molecular weight of 348.45 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methanol is sourced from PubChem (CID 102022866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).