[6-(hydroxy-methoxy-pyridin-2-ylmethyl)-2-pyridinyl]-pyridin-2-ylmethanone

C18H15N3O3 — CID 102029756

IUPAC[6-(hydroxy-methoxy-pyridin-2-ylmethyl)-2-pyridinyl]-pyridin-2-ylmethanone
SMILESCOC(O)(c1ccccn1)c1cccc(C(=O)c2ccccn2)n1
InChIInChI=1S/C18H15N3O3/c1-24-18(23,15-9-3-5-12-20-15)16-10-6-8-14(21-16)17(22)13-7-2-4-11-19-13/h2-12,23H,1H3
InChIKeySLTXWQSQWWFQNW-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.94
Rot. Bonds5

About [6-(hydroxy-methoxy-pyridin-2-ylmethyl)-2-pyridinyl]-pyridin-2-ylmethanone

[6-(hydroxy-methoxy-pyridin-2-ylmethyl)-2-pyridinyl]-pyridin-2-ylmethanone (PubChem CID 102029756) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is [6-(hydroxy-methoxy-pyridin-2-ylmethyl)-2-pyridinyl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[6-(hydroxy-methoxy-pyridin-2-ylmethyl)-2-pyridinyl]-pyridin-2-ylmethanone
PubChem CID102029756
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name[6-(hydroxy-methoxy-pyridin-2-ylmethyl)-2-pyridinyl]-pyridin-2-ylmethanone
SMILESCOC(O)(c1ccccn1)c1cccc(C(=O)c2ccccn2)n1
InChIInChI=1S/C18H15N3O3/c1-24-18(23,15-9-3-5-12-20-15)16-10-6-8-14(21-16)17(22)13-7-2-4-11-19-13/h2-12,23H,1H3
InChIKeySLTXWQSQWWFQNW-UHFFFAOYSA-N
XLogP1.94
TPSA85.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3-amino-2-methoxyphenyl)-pyridin-2-ylmethanone
CID 118853196
N-[(1S)-1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 39853258
methyl 2-methyl-2-pyridin-2-ylpropanoate
CID 58077167
(2-amino-5-methoxyphenyl)-pyridin-2-ylmethanone
CID 105485471
pyrazin-2-yl(pyridin-2-yl)methanone
CID 22931525
(triphenyl-λ4-sulfanyl) pyridine-2-carboxylate
CID 140714321
N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 821516
(3-bromo-2-methylphenyl)-pyridin-2-ylmethanone
CID 118836322
CID 173156131
CID 173156131
(3-amino-5-methoxyphenyl)-pyridin-2-ylmethanone
CID 118819424
3-hydroxy-3-methyl-1-pyridin-2-ylbutan-1-one
CID 175849018
(6-tert-butyl-3-pyridinyl)-pyridin-2-ylmethanone
CID 59744024

Frequently Asked Questions

What is the IUPAC name of [6-(hydroxy-methoxy-pyridin-2-ylmethyl)-2-pyridinyl]-pyridin-2-ylmethanone?
The IUPAC name of [6-(hydroxy-methoxy-pyridin-2-ylmethyl)-2-pyridinyl]-pyridin-2-ylmethanone (CID 102029756) is [6-(hydroxy-methoxy-pyridin-2-ylmethyl)-2-pyridinyl]-pyridin-2-ylmethanone.
What is the SMILES notation for [6-(hydroxy-methoxy-pyridin-2-ylmethyl)-2-pyridinyl]-pyridin-2-ylmethanone?
The canonical SMILES for [6-(hydroxy-methoxy-pyridin-2-ylmethyl)-2-pyridinyl]-pyridin-2-ylmethanone is COC(O)(c1ccccn1)c1cccc(C(=O)c2ccccn2)n1.
What is the InChIKey of [6-(hydroxy-methoxy-pyridin-2-ylmethyl)-2-pyridinyl]-pyridin-2-ylmethanone?
The InChIKey is SLTXWQSQWWFQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-24-18(23,15-9-3-5-12-20-15)16-10-6-8-14(21-16)17(22)13-7-2-4-11-19-13/h2-12,23H,1H3.
What are the key properties of [6-(hydroxy-methoxy-pyridin-2-ylmethyl)-2-pyridinyl]-pyridin-2-ylmethanone?
[6-(hydroxy-methoxy-pyridin-2-ylmethyl)-2-pyridinyl]-pyridin-2-ylmethanone has a molecular weight of 321.34 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(hydroxy-methoxy-pyridin-2-ylmethyl)-2-pyridinyl]-pyridin-2-ylmethanone is sourced from PubChem (CID 102029756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).