(3,4-dimethoxyphenyl)-(2-methoxy-3-pyridinyl)methanone

C15H15NO4 — CID 115605036

IUPAC(3,4-dimethoxyphenyl)-(2-methoxy-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)c2cccnc2OC)cc1OC
InChIInChI=1S/C15H15NO4/c1-18-12-7-6-10(9-13(12)19-2)14(17)11-5-4-8-16-15(11)20-3/h4-9H,1-3H3
InChIKeyLGCNOXLTGGEAPR-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.34
Rot. Bonds5

About (3,4-dimethoxyphenyl)-(2-methoxy-3-pyridinyl)methanone

(3,4-dimethoxyphenyl)-(2-methoxy-3-pyridinyl)methanone (PubChem CID 115605036) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(2-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(2-methoxy-3-pyridinyl)methanone
PubChem CID115605036
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name(3,4-dimethoxyphenyl)-(2-methoxy-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)c2cccnc2OC)cc1OC
InChIInChI=1S/C15H15NO4/c1-18-12-7-6-10(9-13(12)19-2)14(17)11-5-4-8-16-15(11)20-3/h4-9H,1-3H3
InChIKeyLGCNOXLTGGEAPR-UHFFFAOYSA-N
XLogP2.34
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-dimethoxyphenyl)-[2-[2-(ethylamino)ethoxy]-3-pyridinyl]methanone
CID 139666648
methyl 3-(2-methoxypyridine-3-carbonyl)benzoate
CID 24723743
N-(3,4-dimethoxyphenyl)-2-methoxypyridine-3-carboxamide
CID 84580737
1-[2-(3,4-dimethoxybenzoyl)phenyl]ethanone
CID 102341182
2-methoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)pyridine-3-carbohydrazide
CID 55559824
methyl 2-(2-methoxypyridine-3-carbonyl)benzoate
CID 24723742
2-(4-amino-2-methoxyphenoxy)pyridine-3-carboxamide
CID 62111132
1-(4-methoxyphenyl)-3-(2-methoxy-3-pyridinyl)propane-1,3-dione
CID 86238841
3-(3,4-dimethoxybenzoyl)-2-methoxybenzaldehyde
CID 140507897
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate
CID 18171085
(2-methoxy-3-pyridinyl)-(1-methylimidazol-2-yl)methanone
CID 62876172
(2-methoxy-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone
CID 105098109

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(2-methoxy-3-pyridinyl)methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-(2-methoxy-3-pyridinyl)methanone (CID 115605036) is (3,4-dimethoxyphenyl)-(2-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(2-methoxy-3-pyridinyl)methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-(2-methoxy-3-pyridinyl)methanone is COc1ccc(C(=O)c2cccnc2OC)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-(2-methoxy-3-pyridinyl)methanone?
The InChIKey is LGCNOXLTGGEAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-18-12-7-6-10(9-13(12)19-2)14(17)11-5-4-8-16-15(11)20-3/h4-9H,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-(2-methoxy-3-pyridinyl)methanone?
(3,4-dimethoxyphenyl)-(2-methoxy-3-pyridinyl)methanone has a molecular weight of 273.29 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(2-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 115605036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).