methyl 4-(2-oxo-4-phenylmethoxy-1-pyridinyl)butanoate

C17H19NO4 — CID 18414604

IUPACmethyl 4-(2-oxo-4-phenylmethoxy-1-pyridinyl)butanoate
SMILESCOC(=O)CCCn1ccc(OCc2ccccc2)cc1=O
InChIInChI=1S/C17H19NO4/c1-21-17(20)8-5-10-18-11-9-15(12-16(18)19)22-13-14-6-3-2-4-7-14/h2-4,6-7,9,11-12H,5,8,10,13H2,1H3
InChIKeyPOETVUHSKPRCNT-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.38
Rot. Bonds7

About methyl 4-(2-oxo-4-phenylmethoxy-1-pyridinyl)butanoate

methyl 4-(2-oxo-4-phenylmethoxy-1-pyridinyl)butanoate (PubChem CID 18414604) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is methyl 4-(2-oxo-4-phenylmethoxy-1-pyridinyl)butanoate.

Molecular Properties

Compound Namemethyl 4-(2-oxo-4-phenylmethoxy-1-pyridinyl)butanoate
PubChem CID18414604
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Namemethyl 4-(2-oxo-4-phenylmethoxy-1-pyridinyl)butanoate
SMILESCOC(=O)CCCn1ccc(OCc2ccccc2)cc1=O
InChIInChI=1S/C17H19NO4/c1-21-17(20)8-5-10-18-11-9-15(12-16(18)19)22-13-14-6-3-2-4-7-14/h2-4,6-7,9,11-12H,5,8,10,13H2,1H3
InChIKeyPOETVUHSKPRCNT-UHFFFAOYSA-N
XLogP2.38
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-4-(benzyloxy)pyridin-2(1H)-one
CID 10193032
1-benzyl-4-(benzyloxy)-3-methylpyridin-2(1H)-one
CID 10193155
1-benzyl-4-(benzyloxy)-3-ethylpyridin-2(1H)-one
CID 22050258
Benzyl 4-(2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate
CID 12954053
Ethyl 1-[3-(2-methoxyphenyl)acryloyl]-4-piperidinecarboxylate
CID 892852
1-(3-Methylbutyl)-2-oxo-4-phenylmethoxypyridine-3-carbonitrile
CID 118714734
1-benzyl-4-(benzyloxy)-3-vinylpyridin-2(1H)-one
CID 22051118
2-Oxo-4-(phenylmethoxy)-1(2H)-pyridineacetic acid
CID 22050404
4-Phenylmethoxy-1-prop-2-ynylpyridin-2-one
CID 44449560
1-Benzyl 4-ethyl piperidine-1,4-dicarboxylate
CID 15289672
Ethyl 4-(3-((benzyloxy)methyl)piperidin-1-yl)-4-oxobutanoate
CID 49669928
Ethyl 2-[1-benzyl-2-oxo-4-(phenylmethoxymethyl)-3-pyridinyl]acetate
CID 11811237

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-oxo-4-phenylmethoxy-1-pyridinyl)butanoate?
The IUPAC name of methyl 4-(2-oxo-4-phenylmethoxy-1-pyridinyl)butanoate (CID 18414604) is methyl 4-(2-oxo-4-phenylmethoxy-1-pyridinyl)butanoate.
What is the SMILES notation for methyl 4-(2-oxo-4-phenylmethoxy-1-pyridinyl)butanoate?
The canonical SMILES for methyl 4-(2-oxo-4-phenylmethoxy-1-pyridinyl)butanoate is COC(=O)CCCn1ccc(OCc2ccccc2)cc1=O.
What is the InChIKey of methyl 4-(2-oxo-4-phenylmethoxy-1-pyridinyl)butanoate?
The InChIKey is POETVUHSKPRCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-21-17(20)8-5-10-18-11-9-15(12-16(18)19)22-13-14-6-3-2-4-7-14/h2-4,6-7,9,11-12H,5,8,10,13H2,1H3.
What are the key properties of methyl 4-(2-oxo-4-phenylmethoxy-1-pyridinyl)butanoate?
methyl 4-(2-oxo-4-phenylmethoxy-1-pyridinyl)butanoate has a molecular weight of 301.34 g/mol, XLogP of 2.38, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-oxo-4-phenylmethoxy-1-pyridinyl)butanoate is sourced from PubChem (CID 18414604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).