3-[(6-amino-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]propan-1-ol

C15H20N4O — CID 102075024

IUPAC3-[(6-amino-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]propan-1-ol
SMILESNc1cccc(CN(CCCO)Cc2ccccn2)n1
InChIInChI=1S/C15H20N4O/c16-15-7-3-6-14(18-15)12-19(9-4-10-20)11-13-5-1-2-8-17-13/h1-3,5-8,20H,4,9-12H2,(H2,16,18)
InChIKeyJSCAFZSFKSHBHU-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.44
Rot. Bonds7

About 3-[(6-amino-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]propan-1-ol

3-[(6-amino-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]propan-1-ol (PubChem CID 102075024) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[(6-amino-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(6-amino-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]propan-1-ol
PubChem CID102075024
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-[(6-amino-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]propan-1-ol
SMILESNc1cccc(CN(CCCO)Cc2ccccn2)n1
InChIInChI=1S/C15H20N4O/c16-15-7-3-6-14(18-15)12-19(9-4-10-20)11-13-5-1-2-8-17-13/h1-3,5-8,20H,4,9-12H2,(H2,16,18)
InChIKeyJSCAFZSFKSHBHU-UHFFFAOYSA-N
XLogP1.44
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[(6-amino-2-pyridinyl)methyl-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]amino]methyl]pyridin-2-amine
CID 44598597
N-benzyl-N,N',N'-tris(pyridin-2-ylmethyl)propane-1,3-diamine
CID 101205113
2-N-(2-aminoethyl)-4-N,6-N-bis[3-[bis(pyridin-2-ylmethyl)amino]propyl]-1,3,5-triazine-2,4,6-triamine
CID 102530865
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
8-[bis(pyridin-2-ylmethyl)amino]octanoic acid
CID 67061848
N-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine
CID 19046925
copper;2-[2-[3-hydroxypropyl(pyridin-2-ylmethyl)amino]ethyliminomethyl]phenolate;perchlorate
CID 139177156
2-[[2-[2-hydroxyethyl(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 102193195
N'-[2-[2-aminoethyl(pyridin-2-ylmethyl)amino]ethyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 141183733
N-prop-2-ynyl-N,N',N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 102448353
2-[3-[bis(pyridin-2-ylmethyl)amino]propoxy]acetic acid
CID 101459519
[ethyl(pyridin-2-ylmethyl)amino]methanol
CID 20707216

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]propan-1-ol?
The IUPAC name of 3-[(6-amino-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]propan-1-ol (CID 102075024) is 3-[(6-amino-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[(6-amino-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]propan-1-ol?
The canonical SMILES for 3-[(6-amino-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]propan-1-ol is Nc1cccc(CN(CCCO)Cc2ccccn2)n1.
What is the InChIKey of 3-[(6-amino-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]propan-1-ol?
The InChIKey is JSCAFZSFKSHBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c16-15-7-3-6-14(18-15)12-19(9-4-10-20)11-13-5-1-2-8-17-13/h1-3,5-8,20H,4,9-12H2,(H2,16,18).
What are the key properties of 3-[(6-amino-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]propan-1-ol?
3-[(6-amino-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]propan-1-ol has a molecular weight of 272.35 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]propan-1-ol is sourced from PubChem (CID 102075024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).