8-[4-(hydroxymethyl)phenyl]-2-pyridin-4-ylpyrano[2,3-c]pyridin-4-one

C20H14N2O3 — CID 134805810

IUPAC8-[4-(hydroxymethyl)phenyl]-2-pyridin-4-ylpyrano[2,3-c]pyridin-4-one
SMILESO=c1cc(-c2ccncc2)oc2c(-c3ccc(CO)cc3)nccc12
InChIInChI=1S/C20H14N2O3/c23-12-13-1-3-15(4-2-13)19-20-16(7-10-22-19)17(24)11-18(25-20)14-5-8-21-9-6-14/h1-11,23H,12H2
InChIKeyDKFXWJDSPHCMNZ-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.41
Rot. Bonds3

About 8-[4-(hydroxymethyl)phenyl]-2-pyridin-4-ylpyrano[2,3-c]pyridin-4-one

8-[4-(hydroxymethyl)phenyl]-2-pyridin-4-ylpyrano[2,3-c]pyridin-4-one (PubChem CID 134805810) has the molecular formula C20H14N2O3 and a molecular weight of 330.34 g/mol. Its IUPAC name is 8-[4-(hydroxymethyl)phenyl]-2-pyridin-4-ylpyrano[2,3-c]pyridin-4-one.

Molecular Properties

Compound Name8-[4-(hydroxymethyl)phenyl]-2-pyridin-4-ylpyrano[2,3-c]pyridin-4-one
PubChem CID134805810
Molecular FormulaC20H14N2O3
Molecular Weight330.34 g/mol
Exact Mass330.10
IUPAC Name8-[4-(hydroxymethyl)phenyl]-2-pyridin-4-ylpyrano[2,3-c]pyridin-4-one
SMILESO=c1cc(-c2ccncc2)oc2c(-c3ccc(CO)cc3)nccc12
InChIInChI=1S/C20H14N2O3/c23-12-13-1-3-15(4-2-13)19-20-16(7-10-22-19)17(24)11-18(25-20)14-5-8-21-9-6-14/h1-11,23H,12H2
InChIKeyDKFXWJDSPHCMNZ-UHFFFAOYSA-N
XLogP3.41
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3E)-3-(pyridin-2-ylmethylidene)chromen-4-one
CID 1551716
1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 10314056
2-(Pyridin-2-ylmethoxy)benzaldehyde
CID 771116
3-(2-Pyridin-2-ylethynyl)xanthen-9-one
CID 24747825
Ethyl 4-[(6-methyl-3-pyridinyl)oxymethyl]benzoate
CID 44522609
2-morpholino-8-(3-(pyridin-2-yl)phenyl)-4H-chromen-4-one
CID 44562531
2-(Pyridin-2-yl)-4H-naphtho[1,2-b]pyran-4-one
CID 71364816
[1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(3-methoxy-2-pyridinyl)methanone
CID 73347559
[3-(2-fluoroethoxy)-2-pyridinyl]-[1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]methanone
CID 73356688
2-(Dimethylamino)-8-(2-fluorophenyl)pyrano[2,3-c]pyridin-4-one
CID 134805452
8-(4-Fluoro-2-methoxyphenyl)-2-[methyl(oxan-4-yl)amino]pyrano[2,3-c]pyridin-4-one
CID 134810543
4h-1-Benzopyran-4-one,2,3-dihydro-6-methyl-2-(2-pyridinyl)-
CID 10633723

Frequently Asked Questions

What is the IUPAC name of 8-[4-(hydroxymethyl)phenyl]-2-pyridin-4-ylpyrano[2,3-c]pyridin-4-one?
The IUPAC name of 8-[4-(hydroxymethyl)phenyl]-2-pyridin-4-ylpyrano[2,3-c]pyridin-4-one (CID 134805810) is 8-[4-(hydroxymethyl)phenyl]-2-pyridin-4-ylpyrano[2,3-c]pyridin-4-one.
What is the SMILES notation for 8-[4-(hydroxymethyl)phenyl]-2-pyridin-4-ylpyrano[2,3-c]pyridin-4-one?
The canonical SMILES for 8-[4-(hydroxymethyl)phenyl]-2-pyridin-4-ylpyrano[2,3-c]pyridin-4-one is O=c1cc(-c2ccncc2)oc2c(-c3ccc(CO)cc3)nccc12.
What is the InChIKey of 8-[4-(hydroxymethyl)phenyl]-2-pyridin-4-ylpyrano[2,3-c]pyridin-4-one?
The InChIKey is DKFXWJDSPHCMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3/c23-12-13-1-3-15(4-2-13)19-20-16(7-10-22-19)17(24)11-18(25-20)14-5-8-21-9-6-14/h1-11,23H,12H2.
What are the key properties of 8-[4-(hydroxymethyl)phenyl]-2-pyridin-4-ylpyrano[2,3-c]pyridin-4-one?
8-[4-(hydroxymethyl)phenyl]-2-pyridin-4-ylpyrano[2,3-c]pyridin-4-one has a molecular weight of 330.34 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(hydroxymethyl)phenyl]-2-pyridin-4-ylpyrano[2,3-c]pyridin-4-one is sourced from PubChem (CID 134805810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).