3-[5-(3-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methylbenzoic acid

C20H19NO4 — CID 166398016

IUPAC3-[5-(3-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1C(=O)N1CCC=C(c2cccc(O)c2)C1
InChIInChI=1S/C20H19NO4/c1-13-7-8-15(20(24)25)11-18(13)19(23)21-9-3-5-16(12-21)14-4-2-6-17(22)10-14/h2,4-8,10-11,22H,3,9,12H2,1H3,(H,24,25)
InChIKeyHAOALWVUSRYEGE-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.33
Rot. Bonds3

About 3-[5-(3-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methylbenzoic acid

3-[5-(3-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methylbenzoic acid (PubChem CID 166398016) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-[5-(3-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[5-(3-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methylbenzoic acid
PubChem CID166398016
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name3-[5-(3-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1C(=O)N1CCC=C(c2cccc(O)c2)C1
InChIInChI=1S/C20H19NO4/c1-13-7-8-15(20(24)25)11-18(13)19(23)21-9-3-5-16(12-21)14-4-2-6-17(22)10-14/h2,4-8,10-11,22H,3,9,12H2,1H3,(H,24,25)
InChIKeyHAOALWVUSRYEGE-UHFFFAOYSA-N
XLogP3.33
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[5-(3-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methylbenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,3-dimethylphenyl)-(5-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 125142867
3-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)phenol
CID 3068138
[5-(5-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-3-pyridinyl]-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 154837601
bicyclo[3.1.1]hepta-1(7),2,4-trien-6-one;4-methylbenzene-1,3-dicarboxylic acid
CID 174719896
(2,5-dihydroxyphenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106314386
cyclohexane;4-methylbenzene-1,3-dicarboxylic acid
CID 174566305
(3,5-dihydroxyphenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106314401
3-(1-methyl-2,5-dihydropyrrol-3-yl)benzoic acid
CID 105455118
4-methylbenzene-1,3-dicarboxylic acid;phthalic acid
CID 162069170
(4-fluoro-2-methylphenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106313557
4-[4-[4-(3-hydroxyphenyl)naphthalene-1-carbonyl]piperazin-1-yl]benzoic acid
CID 169272421
4-(2,5-dihydropyrrole-1-carbonyl)-3-methylbenzoic acid
CID 11858638

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methylbenzoic acid?
The IUPAC name of 3-[5-(3-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methylbenzoic acid (CID 166398016) is 3-[5-(3-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methylbenzoic acid.
What is the SMILES notation for 3-[5-(3-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methylbenzoic acid?
The canonical SMILES for 3-[5-(3-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methylbenzoic acid is Cc1ccc(C(=O)O)cc1C(=O)N1CCC=C(c2cccc(O)c2)C1.
What is the InChIKey of 3-[5-(3-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methylbenzoic acid?
The InChIKey is HAOALWVUSRYEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-13-7-8-15(20(24)25)11-18(13)19(23)21-9-3-5-16(12-21)14-4-2-6-17(22)10-14/h2,4-8,10-11,22H,3,9,12H2,1H3,(H,24,25).
What are the key properties of 3-[5-(3-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methylbenzoic acid?
3-[5-(3-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methylbenzoic acid has a molecular weight of 337.38 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methylbenzoic acid is sourced from PubChem (CID 166398016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).