4-(6-methoxy-4-propanoyl-2-pyridinyl)benzoic acid

C16H15NO4 — CID 123495472

IUPAC4-(6-methoxy-4-propanoyl-2-pyridinyl)benzoic acid
SMILESCCC(=O)c1cc(OC)nc(-c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C16H15NO4/c1-3-14(18)12-8-13(17-15(9-12)21-2)10-4-6-11(7-5-10)16(19)20/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyKUODAKWZMORWAM-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.05
Rot. Bonds5

About 4-(6-methoxy-4-propanoyl-2-pyridinyl)benzoic acid

4-(6-methoxy-4-propanoyl-2-pyridinyl)benzoic acid (PubChem CID 123495472) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-(6-methoxy-4-propanoyl-2-pyridinyl)benzoic acid.

Molecular Properties

Compound Name4-(6-methoxy-4-propanoyl-2-pyridinyl)benzoic acid
PubChem CID123495472
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name4-(6-methoxy-4-propanoyl-2-pyridinyl)benzoic acid
SMILESCCC(=O)c1cc(OC)nc(-c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C16H15NO4/c1-3-14(18)12-8-13(17-15(9-12)21-2)10-4-6-11(7-5-10)16(19)20/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyKUODAKWZMORWAM-UHFFFAOYSA-N
XLogP3.05
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-methoxypyrazin-2-yl)benzoic acid
CID 67257014
2-amino-1-(2,6-dimethoxy-4-pyridinyl)ethanone
CID 84666732
4-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid
CID 4615865
2,2-dimethylpropane;1-(4-methoxyphenyl)propan-1-one
CID 143304952
4-(6-amino-5-methoxy-2-pyridinyl)benzoic acid
CID 82556304
2-methoxy-6-methylpyridine-4-carboxylic acid;hydrochloride
CID 112756430
4-[4-(1-tert-butyl-7-oxospiro[4,6-dihydroindazole-5,4'-piperidine]-1'-carbonyl)-6-methoxy-2-pyridinyl]benzoic acid
CID 56947873
1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]propan-1-one
CID 174775659
6-(4-methoxyphenyl)pyridazine-4-carboxylic acid
CID 121205221
2-chloro-6-methoxypyridine-4-carboxylic acid;ethane
CID 143103207
4-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]benzoic acid
CID 54333176
propanoic acid;terephthalic acid
CID 158352815

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-4-propanoyl-2-pyridinyl)benzoic acid?
The IUPAC name of 4-(6-methoxy-4-propanoyl-2-pyridinyl)benzoic acid (CID 123495472) is 4-(6-methoxy-4-propanoyl-2-pyridinyl)benzoic acid.
What is the SMILES notation for 4-(6-methoxy-4-propanoyl-2-pyridinyl)benzoic acid?
The canonical SMILES for 4-(6-methoxy-4-propanoyl-2-pyridinyl)benzoic acid is CCC(=O)c1cc(OC)nc(-c2ccc(C(=O)O)cc2)c1.
What is the InChIKey of 4-(6-methoxy-4-propanoyl-2-pyridinyl)benzoic acid?
The InChIKey is KUODAKWZMORWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-3-14(18)12-8-13(17-15(9-12)21-2)10-4-6-11(7-5-10)16(19)20/h4-9H,3H2,1-2H3,(H,19,20).
What are the key properties of 4-(6-methoxy-4-propanoyl-2-pyridinyl)benzoic acid?
4-(6-methoxy-4-propanoyl-2-pyridinyl)benzoic acid has a molecular weight of 285.30 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-4-propanoyl-2-pyridinyl)benzoic acid is sourced from PubChem (CID 123495472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).