(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methanone

C15H15NO3 — CID 12623269

IUPAC(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methanone
SMILESCOc1ccc(C(=O)c2cccc(C)n2)cc1OC
InChIInChI=1S/C15H15NO3/c1-10-5-4-6-12(16-10)15(17)11-7-8-13(18-2)14(9-11)19-3/h4-9H,1-3H3
InChIKeyNLZZLUGNSSICNO-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.64
Rot. Bonds4

About (3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methanone

(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methanone (PubChem CID 12623269) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methanone
PubChem CID12623269
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methanone
SMILESCOc1ccc(C(=O)c2cccc(C)n2)cc1OC
InChIInChI=1S/C15H15NO3/c1-10-5-4-6-12(16-10)15(17)11-7-8-13(18-2)14(9-11)19-3/h4-9H,1-3H3
InChIKeyNLZZLUGNSSICNO-UHFFFAOYSA-N
XLogP2.64
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxy-3-nitrophenyl)-(6-methyl-2-pyridinyl)methanone
CID 54170364
(4-methoxy-2,5-dimethylphenyl)-(6-methyl-2-pyridinyl)methanone
CID 113370085
(3-chloro-4-methylphenyl)-(6-methyl-2-pyridinyl)methanone
CID 107559828
(3-chloro-4-methoxyphenyl)-(6-methoxy-2-pyridinyl)methanone
CID 70836286
1-[(E)-[(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methylidene]amino]-3-methylthiourea
CID 71552853
(3,4-dimethoxyphenyl)-(1-methylpyrazol-3-yl)methanone
CID 65195639
(4-fluoro-2-methylphenyl)-(6-methyl-2-pyridinyl)methanone
CID 63554344
N-(2,5-dimethoxyphenyl)-6-methylpyridine-2-carboxamide
CID 31808969
3,4-dimethoxy-N-(2-methylquinolin-5-yl)benzamide
CID 2996969
2-(3-fluoro-4-methoxyphenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 63553614
N-(5-bromo-2-methoxyphenyl)-6-methylpyridine-2-carboxamide
CID 47317681
1-[2-(3,4-dimethoxybenzoyl)phenyl]ethanone
CID 102341182

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methanone (CID 12623269) is (3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methanone is COc1ccc(C(=O)c2cccc(C)n2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methanone?
The InChIKey is NLZZLUGNSSICNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10-5-4-6-12(16-10)15(17)11-7-8-13(18-2)14(9-11)19-3/h4-9H,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methanone?
(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methanone has a molecular weight of 257.29 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 12623269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).