3-[3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropoxy]propane-1,2-diol

C18H25N3O4 — CID 132519367

IUPAC3-[3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropoxy]propane-1,2-diol
SMILESOCC(O)COCC(O)CN(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C18H25N3O4/c22-12-18(24)14-25-13-17(23)11-21(9-15-5-1-3-7-19-15)10-16-6-2-4-8-20-16/h1-8,17-18,22-24H,9-14H2
InChIKeyCSNDPOSBOZTNFY-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.21
Rot. Bonds11

About 3-[3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropoxy]propane-1,2-diol

3-[3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropoxy]propane-1,2-diol (PubChem CID 132519367) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-[3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropoxy]propane-1,2-diol
PubChem CID132519367
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name3-[3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropoxy]propane-1,2-diol
SMILESOCC(O)COCC(O)CN(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C18H25N3O4/c22-12-18(24)14-25-13-17(23)11-21(9-15-5-1-3-7-19-15)10-16-6-2-4-8-20-16/h1-8,17-18,22-24H,9-14H2
InChIKeyCSNDPOSBOZTNFY-UHFFFAOYSA-N
XLogP0.21
TPSA98.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

acetic acid;bis(1,3-bis[bis(pyridin-2-ylmethyl)amino]propan-2-ol);manganese
CID 158480900
1-[bis(pyridin-2-ylmethyl)amino]-3-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]propan-2-ol
CID 15831001
1-[bis(pyridin-2-ylmethyl)amino]-3-[4-[3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 102227069
3-(2,3-dimethoxypropoxy)-2-methoxy-N,N-bis(pyridin-2-ylmethyl)propan-1-amine
CID 132519369
1-[bis(pyridin-2-ylmethyl)amino]-3-[(6-tert-butyl-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]propan-2-ol
CID 138529927
zinc;acetic acid;1,3-bis[bis(pyridin-2-ylmethyl)amino]propan-2-ol;zinc;dihexafluorophosphate
CID 90472653
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
1-[ethyl(pyridin-2-ylmethyl)amino]propan-2-ol
CID 78998409
1-[1-azacyclohepta-1,3,5,6-tetraen-2-ylmethyl(pyridin-2-ylmethyl)amino]-3-[bis(pyridin-2-ylmethyl)amino]propan-2-ol
CID 163747315
ethyl 4-[ethyl(pyridin-2-ylmethyl)amino]-3-hydroxybutanoate
CID 82769148
1-propoxy-4-pyridin-2-ylbutan-2-ol
CID 105112007
[ethyl(pyridin-2-ylmethyl)amino]methanol
CID 20707216

Frequently Asked Questions

What is the IUPAC name of 3-[3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropoxy]propane-1,2-diol?
The IUPAC name of 3-[3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropoxy]propane-1,2-diol (CID 132519367) is 3-[3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropoxy]propane-1,2-diol.
What is the SMILES notation for 3-[3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropoxy]propane-1,2-diol?
The canonical SMILES for 3-[3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropoxy]propane-1,2-diol is OCC(O)COCC(O)CN(Cc1ccccn1)Cc1ccccn1.
What is the InChIKey of 3-[3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropoxy]propane-1,2-diol?
The InChIKey is CSNDPOSBOZTNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c22-12-18(24)14-25-13-17(23)11-21(9-15-5-1-3-7-19-15)10-16-6-2-4-8-20-16/h1-8,17-18,22-24H,9-14H2.
What are the key properties of 3-[3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropoxy]propane-1,2-diol?
3-[3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropoxy]propane-1,2-diol has a molecular weight of 347.42 g/mol, XLogP of 0.21, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[bis(pyridin-2-ylmethyl)amino]-2-hydroxypropoxy]propane-1,2-diol is sourced from PubChem (CID 132519367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).