[6-[3-[[6-(hydroxymethyl)-2-pyridinyl]methylideneamino]propyliminomethyl]-2-pyridinyl]methanol

C17H20N4O2 — CID 102215916

IUPAC[6-[3-[[6-(hydroxymethyl)-2-pyridinyl]methylideneamino]propyliminomethyl]-2-pyridinyl]methanol
SMILESOCc1cccc(/C=N/CCC/N=C/c2cccc(CO)n2)n1
InChIInChI=1S/C17H20N4O2/c22-12-16-6-1-4-14(20-16)10-18-8-3-9-19-11-15-5-2-7-17(13-23)21-15/h1-2,4-7,10-11,22-23H,3,8-9,12-13H2/b18-10+,19-11+
InChIKeyWNNLFXJKPXFBPM-XOBNHNQQSA-N
MW312.37 g/mol
LogP1.39
Rot. Bonds8

About [6-[3-[[6-(hydroxymethyl)-2-pyridinyl]methylideneamino]propyliminomethyl]-2-pyridinyl]methanol

[6-[3-[[6-(hydroxymethyl)-2-pyridinyl]methylideneamino]propyliminomethyl]-2-pyridinyl]methanol (PubChem CID 102215916) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is [6-[3-[[6-(hydroxymethyl)-2-pyridinyl]methylideneamino]propyliminomethyl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[3-[[6-(hydroxymethyl)-2-pyridinyl]methylideneamino]propyliminomethyl]-2-pyridinyl]methanol
PubChem CID102215916
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name[6-[3-[[6-(hydroxymethyl)-2-pyridinyl]methylideneamino]propyliminomethyl]-2-pyridinyl]methanol
SMILESOCc1cccc(/C=N/CCC/N=C/c2cccc(CO)n2)n1
InChIInChI=1S/C17H20N4O2/c22-12-16-6-1-4-14(20-16)10-18-8-3-9-19-11-15-5-2-7-17(13-23)21-15/h1-2,4-7,10-11,22-23H,3,8-9,12-13H2/b18-10+,19-11+
InChIKeyWNNLFXJKPXFBPM-XOBNHNQQSA-N
XLogP1.39
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[6-[2-[bis[2-[[6-(hydroxymethyl)-2-pyridinyl]methylideneamino]ethyl]amino]ethyliminomethyl]-2-pyridinyl]methanol;iron(2+);dibromide
CID 139164096
N-tetradecyl-1-[6-(tetradecyliminomethyl)-2-pyridinyl]methanimine
CID 122366565
2-[(6-methyl-2-pyridinyl)methylideneamino]ethanol
CID 102086230
cobalt(2+);bis((NE,3Z)-N-[[6-(hydroxymethyl)-2-pyridinyl]methylidene]pyridine-3-carbohydrazonate)
CID 139144201
(E)-1-[6-(hydroxymethyl)-2-pyridinyl]pent-1-en-3-one
CID 59555422
1-(6-pyridin-2-yl-2-pyridinyl)-N-[2-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]ethyl]methanimine
CID 102521217
(6-ethyl-2-pyridinyl)methanol
CID 10749240
2,6-bis(bromomethyl)pyridine;[6-(hydroxymethyl)-2-pyridinyl]methanol
CID 158197144
N-[[6-[(E)-hydroxyiminomethyl]-2-pyridinyl]methylidene]hydroxylamine
CID 135678754
ethane;(6-methyl-2-pyridinyl)methanol
CID 123372592
(6-methyl-2-pyridinyl)methanol;hydrochloride
CID 18413908
N-(2-tritylsulfanylethyl)-1-[6-(2-tritylsulfanylethyliminomethyl)-2-pyridinyl]methanimine
CID 15425024

Frequently Asked Questions

What is the IUPAC name of [6-[3-[[6-(hydroxymethyl)-2-pyridinyl]methylideneamino]propyliminomethyl]-2-pyridinyl]methanol?
The IUPAC name of [6-[3-[[6-(hydroxymethyl)-2-pyridinyl]methylideneamino]propyliminomethyl]-2-pyridinyl]methanol (CID 102215916) is [6-[3-[[6-(hydroxymethyl)-2-pyridinyl]methylideneamino]propyliminomethyl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[3-[[6-(hydroxymethyl)-2-pyridinyl]methylideneamino]propyliminomethyl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[3-[[6-(hydroxymethyl)-2-pyridinyl]methylideneamino]propyliminomethyl]-2-pyridinyl]methanol is OCc1cccc(/C=N/CCC/N=C/c2cccc(CO)n2)n1.
What is the InChIKey of [6-[3-[[6-(hydroxymethyl)-2-pyridinyl]methylideneamino]propyliminomethyl]-2-pyridinyl]methanol?
The InChIKey is WNNLFXJKPXFBPM-XOBNHNQQSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-12-16-6-1-4-14(20-16)10-18-8-3-9-19-11-15-5-2-7-17(13-23)21-15/h1-2,4-7,10-11,22-23H,3,8-9,12-13H2/b18-10+,19-11+.
What are the key properties of [6-[3-[[6-(hydroxymethyl)-2-pyridinyl]methylideneamino]propyliminomethyl]-2-pyridinyl]methanol?
[6-[3-[[6-(hydroxymethyl)-2-pyridinyl]methylideneamino]propyliminomethyl]-2-pyridinyl]methanol has a molecular weight of 312.37 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-[[6-(hydroxymethyl)-2-pyridinyl]methylideneamino]propyliminomethyl]-2-pyridinyl]methanol is sourced from PubChem (CID 102215916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).