[3-(1,3-dioxolan-2-yl)-2-pyridinyl]-[2-(methoxymethoxy)-5-methylphenyl]methanone

C18H19NO5 — CID 19701573

IUPAC[3-(1,3-dioxolan-2-yl)-2-pyridinyl]-[2-(methoxymethoxy)-5-methylphenyl]methanone
SMILESCOCOc1ccc(C)cc1C(=O)c1ncccc1C1OCCO1
InChIInChI=1S/C18H19NO5/c1-12-5-6-15(24-11-21-2)14(10-12)17(20)16-13(4-3-7-19-16)18-22-8-9-23-18/h3-7,10,18H,8-9,11H2,1-2H3
InChIKeyWEZGUZNHGYKBHY-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.65
Rot. Bonds6

About [3-(1,3-dioxolan-2-yl)-2-pyridinyl]-[2-(methoxymethoxy)-5-methylphenyl]methanone

[3-(1,3-dioxolan-2-yl)-2-pyridinyl]-[2-(methoxymethoxy)-5-methylphenyl]methanone (PubChem CID 19701573) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is [3-(1,3-dioxolan-2-yl)-2-pyridinyl]-[2-(methoxymethoxy)-5-methylphenyl]methanone.

Molecular Properties

Compound Name[3-(1,3-dioxolan-2-yl)-2-pyridinyl]-[2-(methoxymethoxy)-5-methylphenyl]methanone
PubChem CID19701573
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name[3-(1,3-dioxolan-2-yl)-2-pyridinyl]-[2-(methoxymethoxy)-5-methylphenyl]methanone
SMILESCOCOc1ccc(C)cc1C(=O)c1ncccc1C1OCCO1
InChIInChI=1S/C18H19NO5/c1-12-5-6-15(24-11-21-2)14(10-12)17(20)16-13(4-3-7-19-16)18-22-8-9-23-18/h3-7,10,18H,8-9,11H2,1-2H3
InChIKeyWEZGUZNHGYKBHY-UHFFFAOYSA-N
XLogP2.65
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.65
H-Bond Donors ≤ 50
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-chloro-2-pyridinyl)-(2-methoxy-5-methylphenyl)methanone
CID 103443137
[5-fluoro-2-(methoxymethoxy)phenyl]-(3-methylphenyl)methanone
CID 146189061
[4-[(E)-2-(dimethylamino)ethenyl]quinolin-3-yl]-[3-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone
CID 10068065
(2,5-dimethylphenyl)-(3-ethyl-2-pyridinyl)methanone
CID 82730704
[5-chloro-4-(dimethylamino)-2-(methoxymethoxy)phenyl]-[3-(methoxymethoxy)-2-pyridinyl]methanone
CID 19701623
5-methyl-2-(oxan-2-ylmethoxy)benzoic acid
CID 55025159
[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-bis(methoxymethoxy)phenyl]-[2-(1,3-dioxan-2-yl)-6-(methoxymethoxy)phenyl]methanone
CID 10461086
2-[2-bromo-3-methoxy-4-(methoxymethoxy)phenyl]-1,3-dioxolane
CID 86225062
(2-ethoxy-5-methylphenyl)-pyridin-3-ylmethanone
CID 115000096
1,4-dioxan-2-yl-(2-ethoxy-5-methylphenyl)methanone
CID 62799914
[4-methyl-2-(pyridine-2-carbonyl)phenyl] acetate
CID 102227246
2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-5-methylbenzoic acid
CID 79218339

Frequently Asked Questions

What is the IUPAC name of [3-(1,3-dioxolan-2-yl)-2-pyridinyl]-[2-(methoxymethoxy)-5-methylphenyl]methanone?
The IUPAC name of [3-(1,3-dioxolan-2-yl)-2-pyridinyl]-[2-(methoxymethoxy)-5-methylphenyl]methanone (CID 19701573) is [3-(1,3-dioxolan-2-yl)-2-pyridinyl]-[2-(methoxymethoxy)-5-methylphenyl]methanone.
What is the SMILES notation for [3-(1,3-dioxolan-2-yl)-2-pyridinyl]-[2-(methoxymethoxy)-5-methylphenyl]methanone?
The canonical SMILES for [3-(1,3-dioxolan-2-yl)-2-pyridinyl]-[2-(methoxymethoxy)-5-methylphenyl]methanone is COCOc1ccc(C)cc1C(=O)c1ncccc1C1OCCO1.
What is the InChIKey of [3-(1,3-dioxolan-2-yl)-2-pyridinyl]-[2-(methoxymethoxy)-5-methylphenyl]methanone?
The InChIKey is WEZGUZNHGYKBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-12-5-6-15(24-11-21-2)14(10-12)17(20)16-13(4-3-7-19-16)18-22-8-9-23-18/h3-7,10,18H,8-9,11H2,1-2H3.
What are the key properties of [3-(1,3-dioxolan-2-yl)-2-pyridinyl]-[2-(methoxymethoxy)-5-methylphenyl]methanone?
[3-(1,3-dioxolan-2-yl)-2-pyridinyl]-[2-(methoxymethoxy)-5-methylphenyl]methanone has a molecular weight of 329.35 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-dioxolan-2-yl)-2-pyridinyl]-[2-(methoxymethoxy)-5-methylphenyl]methanone is sourced from PubChem (CID 19701573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).