(2,5-dimethoxyphenyl)methyl 3-(2-oxo-1-pyridinyl)propanoate

C17H19NO5 — CID 86979532

IUPAC(2,5-dimethoxyphenyl)methyl 3-(2-oxo-1-pyridinyl)propanoate
SMILESCOc1ccc(OC)c(COC(=O)CCn2ccccc2=O)c1
InChIInChI=1S/C17H19NO5/c1-21-14-6-7-15(22-2)13(11-14)12-23-17(20)8-10-18-9-4-3-5-16(18)19/h3-7,9,11H,8,10,12H2,1-2H3
InChIKeyNZKAXINVCAPFAW-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.00
Rot. Bonds7

About (2,5-dimethoxyphenyl)methyl 3-(2-oxo-1-pyridinyl)propanoate

(2,5-dimethoxyphenyl)methyl 3-(2-oxo-1-pyridinyl)propanoate (PubChem CID 86979532) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)methyl 3-(2-oxo-1-pyridinyl)propanoate.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)methyl 3-(2-oxo-1-pyridinyl)propanoate
PubChem CID86979532
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name(2,5-dimethoxyphenyl)methyl 3-(2-oxo-1-pyridinyl)propanoate
SMILESCOc1ccc(OC)c(COC(=O)CCn2ccccc2=O)c1
InChIInChI=1S/C17H19NO5/c1-21-14-6-7-15(22-2)13(11-14)12-23-17(20)8-10-18-9-4-3-5-16(18)19/h3-7,9,11H,8,10,12H2,1-2H3
InChIKeyNZKAXINVCAPFAW-UHFFFAOYSA-N
XLogP2.00
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2,5-dimethoxyphenyl)methyl 2-chlorobenzoate
CID 60606971
(2,5-dimethoxyphenyl)methyl 3-(4-fluorophenyl)butanoate
CID 60541598
(2,5-dimethoxyphenyl)methyl 2,2-dimethylpropanoate
CID 10933987
(2,5-dimethoxyphenyl)methyl 3-methoxybenzoate
CID 18155855
(5-fluoro-2-methoxyphenyl)methyl 3-aminopropanoate
CID 94260078
1-[2-(2-amino-5-methoxyphenyl)sulfanylethyl]pyridin-2-one
CID 82897703
N-[2-(3-methoxyphenyl)ethyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 78879278
(2,5-dimethoxyphenyl)methyl 1H-indole-3-carboxylate
CID 8644175
1-[2-[(5-acetyl-2-methoxyphenyl)methylsulfonyl]ethyl]pyridin-2-one
CID 167849118
(2-methoxy-5-methylphenyl)methyl 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 55386366
1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-indol-1-ylpropan-1-one
CID 37350399
4-(2,5-dimethoxyphenyl)butanehydrazide
CID 116843562

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)methyl 3-(2-oxo-1-pyridinyl)propanoate?
The IUPAC name of (2,5-dimethoxyphenyl)methyl 3-(2-oxo-1-pyridinyl)propanoate (CID 86979532) is (2,5-dimethoxyphenyl)methyl 3-(2-oxo-1-pyridinyl)propanoate.
What is the SMILES notation for (2,5-dimethoxyphenyl)methyl 3-(2-oxo-1-pyridinyl)propanoate?
The canonical SMILES for (2,5-dimethoxyphenyl)methyl 3-(2-oxo-1-pyridinyl)propanoate is COc1ccc(OC)c(COC(=O)CCn2ccccc2=O)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)methyl 3-(2-oxo-1-pyridinyl)propanoate?
The InChIKey is NZKAXINVCAPFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-21-14-6-7-15(22-2)13(11-14)12-23-17(20)8-10-18-9-4-3-5-16(18)19/h3-7,9,11H,8,10,12H2,1-2H3.
What are the key properties of (2,5-dimethoxyphenyl)methyl 3-(2-oxo-1-pyridinyl)propanoate?
(2,5-dimethoxyphenyl)methyl 3-(2-oxo-1-pyridinyl)propanoate has a molecular weight of 317.34 g/mol, XLogP of 2.00, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)methyl 3-(2-oxo-1-pyridinyl)propanoate is sourced from PubChem (CID 86979532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).