[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-pyridin-3-ylmethanone

C17H15NO2 — CID 167974245

IUPAC[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-pyridin-3-ylmethanone
SMILESO=C(c1ccc(C2=CCOCC2)cc1)c1cccnc1
InChIInChI=1S/C17H15NO2/c19-17(16-2-1-9-18-12-16)15-5-3-13(4-6-15)14-7-10-20-11-8-14/h1-7,9,12H,8,10-11H2
InChIKeySHHKHIBKVGCADN-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.12
Rot. Bonds3

About [4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-pyridin-3-ylmethanone

[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-pyridin-3-ylmethanone (PubChem CID 167974245) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is [4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-pyridin-3-ylmethanone
PubChem CID167974245
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-pyridin-3-ylmethanone
SMILESO=C(c1ccc(C2=CCOCC2)cc1)c1cccnc1
InChIInChI=1S/C17H15NO2/c19-17(16-2-1-9-18-12-16)15-5-3-13(4-6-15)14-7-10-20-11-8-14/h1-7,9,12H,8,10-11H2
InChIKeySHHKHIBKVGCADN-UHFFFAOYSA-N
XLogP3.12
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-pyridin-3-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-fluorophenyl)-pyridin-3-ylmethanone
CID 762660
[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-[4-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 172890191
1,4-dioxane;pyridine-3-carbonyl chloride
CID 146303491
7-[4-(pyridine-3-carbonyl)phenyl]-3,4-dihydro-1H-quinazolin-2-one
CID 167764140
pyridin-3-yl(quinolin-6-yl)methanone
CID 63097549
4-(3,6-dihydro-2H-pyran-4-yl)benzenethiol
CID 162435420
(4-piperazin-4-ium-1-ylphenyl)-pyridin-3-ylmethanone
CID 7085497
oxan-4-yl(pyridin-3-yl)methanone
CID 11321445
[4-(2-methyl-3H-benzimidazol-5-yl)phenyl]-pyridin-3-ylmethanone
CID 166359596
4-(4-tert-butylphenyl)-3,6-dihydro-2H-pyran
CID 166005450
(3-bromophenyl)-pyridin-3-ylmethanone
CID 12930026
[6-(methylamino)-3-pyridinyl]-pyridin-3-ylmethanone
CID 122689009

Frequently Asked Questions

What is the IUPAC name of [4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-pyridin-3-ylmethanone?
The IUPAC name of [4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-pyridin-3-ylmethanone (CID 167974245) is [4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-pyridin-3-ylmethanone is O=C(c1ccc(C2=CCOCC2)cc1)c1cccnc1.
What is the InChIKey of [4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-pyridin-3-ylmethanone?
The InChIKey is SHHKHIBKVGCADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c19-17(16-2-1-9-18-12-16)15-5-3-13(4-6-15)14-7-10-20-11-8-14/h1-7,9,12H,8,10-11H2.
What are the key properties of [4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-pyridin-3-ylmethanone?
[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-pyridin-3-ylmethanone has a molecular weight of 265.31 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-pyridin-3-ylmethanone is sourced from PubChem (CID 167974245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).